49795380 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 11 12 13 13 14 15 16 17 17 18 18 19 19 20 20 21 21 21 22 22 23 23 24 26 26 27 27 28 28 29 29 31 31 31 32 32 32 33 34 34 34 25 30 34 33 9 10 12 10 16 14 33 44 21 25 49 22 31 32 13 16 14 12 15 17 35 18 20 15 36 37 26 27 19 38 23 25 24 39 22 40 41 42 43 24 45 46 28 47 29 48 30 50 30 51 52 53 54 55 56 57 58 59 60 61 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 12.2546 2.866 6.3301 8.0622 9.0084 7.1962 11.8974 14.1651 9.0084 8.0622 6.3301 7.1962 9.3191 7.1962 6.3301 9.592 5.4641 10.2976 10.6082 8.6512 12.8759 13.1866 9.9404 8.9619 11.5867 5.4641 4.5981 4.5981 3.732 3.732 14.4757 14.8329 6.3301 2 7.1962 5.7932 10.212 10.7116 8.0445 12.8965 13.4897 13.166 12.5727 7.7331 10.133 8.5478 6.001 4.5981 11.4833 4.5981 3.1951 15.0651 14.6683 13.8864 14.3714 15.247 15.2944 5.7932 1.69 1.4631 2.31 0.9328 1.0589 -4.9411 -0.9411 -2.2458 -3.4411 2.6276 3.9906 -0.6364 -1.9411 -0.9411 -0.4411 0.3141 -2.4411 -1.9411 -1.4411 -0.4411 0.5204 1.4709 1.0584 2.8338 3.7844 2.2152 2.009 1.6771 0.5589 -0.9411 1.0589 -0.4411 0.5589 4.9411 3.2463 -3.9411 0.5589 0.1789 -2.2511 -1.4411 0.0589 0.9306 2.2142 2.7465 4.404 3.8717 -3.7511 2.8045 2.4704 0.8689 -1.5611 3.0891 1.6789 -0.7511 4.7485 5.5304 5.1337 2.8322 2.7848 3.6604 -3.6311 1.0958 0.2489 0.022 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 9 10 11 11 13 13 14 17 17 18 19 20 23 26 27 28 29 9 10 12 10 16 16 14 12 15 18 20 15 26 27 19 23 24 24 28 29 30 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 669 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033777F40082882D3532A009D8A13E7CD88C6EF2C4BD9B9431286CD613C8E9A798C9F09EA0000200000000004000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-methoxyphenyl)-3-imidazo[1,2-a]pyridinyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H27N5O3/c1-30(2)12-11-27-26(33)20-6-4-5-19(13-20)24-15-28-25-23(29-17-32)14-21(16-31(24)25)18-7-9-22(34-3)10-8-18/h4-10,13-17H,11-12H2,1-3H3,(H,27,33)(H,29,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XFOKAXDYYBBYGJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 457.21138974 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H27N5O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 457.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 88 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 457.21138974 34 0 0 0 0 0 0 0 1 -1