57397507 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 8 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 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 21 22 22 23 23 25 25 26 26 27 27 28 28 29 29 30 24 25 5 11 42 11 13 14 12 13 6 7 31 8 32 33 9 34 35 10 36 37 10 38 39 40 41 12 15 16 17 43 19 20 18 44 18 21 45 22 46 23 47 48 49 50 24 51 24 52 26 27 28 53 29 54 30 55 30 56 57 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 10.1279 5.855 4.5981 5.5443 5.1871 5.4978 4.2086 4.8299 3.5408 3.8514 5.5443 6.1279 4.5981 3.732 7.1279 3.732 2.866 2.866 7.6279 7.6279 2 8.6279 8.6279 9.1279 10.6279 10.1279 11.6279 10.6279 12.1279 11.6279 4.9945 6.0447 5.8803 3.6822 4.4399 5.3563 4.5987 2.9938 3.1582 3.8309 3.2376 6.4616 3.732 3.732 2.3291 7.3179 7.3179 2.31 1.4631 1.69 8.9379 8.9379 9.5079 11.9379 10.3179 12.7479 11.9379 -0.7982 0.9571 -0.2982 -1.6029 1.7014 2.6519 1.4952 3.3962 2.2395 3.19 0.0066 -0.7982 -1.2982 0.2018 -0.7982 -1.7982 -0.2982 -1.2982 -1.6642 0.0679 0.2018 -1.6642 0.0679 -0.7982 -1.6642 -2.5302 -1.6642 -3.3962 -2.5302 -3.3962 1.1121 2.3599 3.1398 1.1676 0.9199 3.7239 3.9715 2.5315 1.7516 3.8097 3.2774 1.085 0.8218 -2.4181 -1.6082 -2.2011 0.6048 0.7388 0.5118 -0.3351 -2.2011 0.6048 -2.5302 -1.1272 -3.9332 -2.5302 -3.9332 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 11 13 14 15 15 16 17 19 20 22 23 25 25 26 27 28 29 11 13 14 12 13 12 16 17 19 20 18 18 22 23 24 24 26 27 28 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 522 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000001600000003C60C100000000005801F400001E00100000000C2CC19F043FB69FCC1C00A0033667640082882D3132A009D8A03E7C988C6EE2C4B99B963828ECD013C8E82790D0830E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-6-methyl-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-6-methyl-2-(4-phenoxyphenyl)-3-imidazo[1,2-a]pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cyclohexyl-6-methyl-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-6-methyl-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-6-methyl-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclohexyl-[6-methyl-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H27N3O/c1-19-12-17-24-28-25(26(29(24)18-19)27-21-8-4-2-5-9-21)20-13-15-23(16-14-20)30-22-10-6-3-7-11-22/h3,6-7,10-18,21,27H,2,4-5,8-9H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XITSTCZDUMMNGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 397.215412493 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H27N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 397.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)OC5=CC=CC=C5)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)OC5=CC=CC=C5)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 397.215412493 30 0 0 0 0 0 0 0 1 -1