49786678 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 8 8 8 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 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 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 10 10 10 11 12 13 13 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 25 26 26 27 28 29 29 29 30 30 30 31 31 31 25 31 24 28 8 9 11 9 15 12 28 37 24 29 30 13 15 12 11 14 16 32 14 17 18 33 34 20 21 19 35 22 36 23 24 25 38 26 39 23 40 41 27 27 42 43 44 45 46 47 48 49 50 51 52 53 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 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 2.866 12.2546 6.3301 8.0622 9.0084 7.1962 11.8974 9.0084 8.0622 6.3301 7.1962 7.1962 9.3191 6.3301 9.592 5.4641 10.2976 8.6512 10.6082 4.5981 5.4641 8.9619 9.9404 11.5867 3.732 4.5981 3.732 6.3301 12.8759 11.2296 2 7.1962 5.7932 10.212 10.7116 8.0445 7.7331 4.5981 6.001 8.5478 10.133 4.5981 3.1951 5.7932 13.0038 13.4826 12.748 11.691 10.8155 10.7681 2.31 1.4631 1.69 -0.1565 1.7174 -4.1565 -0.1565 -1.4612 -2.6565 3.4122 0.1482 -1.1565 -0.1565 0.3435 -1.6565 1.0987 -1.1565 -0.6565 0.3435 1.305 1.843 2.2555 -0.1565 1.3435 2.7936 2.9998 2.4617 0.3435 1.8435 1.3435 -3.1565 3.6184 4.1565 0.3435 0.9635 -1.4665 -0.6565 0.8435 1.7152 -2.9665 -0.7765 1.6535 3.255 3.5891 2.4635 1.6535 -2.8465 3.0118 3.7463 4.2251 4.5706 4.618 3.7424 0.8804 0.6535 -0.1935 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 8 9 10 10 12 13 13 16 16 17 18 19 20 21 22 25 26 8 9 11 9 15 15 12 11 14 14 17 18 20 21 19 22 23 25 26 23 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 630 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033777F40082882D3532A009D8A13E7CD88C6EF2C4BD9B9431286CD613C8E9A798D9F29E80000300000000000000060000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[8-formamido-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[8-formamido-6-(3-methoxyphenyl)-3-imidazo[1,2-a]pyridinyl]-N,N-dimethylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[8-formamido-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-<I>N</I>,<I>N</I>-dimethylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[8-formamido-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[8-formamido-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[8-formamido-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H22N4O3/c1-27(2)24(30)18-8-4-7-17(10-18)22-13-25-23-21(26-15-29)12-19(14-28(22)23)16-6-5-9-20(11-16)31-3/h4-15H,1-3H3,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LEQVQGVYOYHNSY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC(=CC=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC(=CC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 75.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.16919058 31 0 0 0 0 0 0 0 1 -1