67868353 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 8 7 7 7 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 2 2 2 3 3 4 4 5 5 6 6 7 8 9 9 10 10 11 11 11 12 12 13 13 13 14 15 16 17 18 19 19 20 20 21 21 22 22 23 23 24 17 5 6 7 7 8 16 18 8 12 9 10 13 16 14 25 15 26 14 15 17 18 27 28 29 30 31 32 33 19 34 20 21 22 35 23 36 24 37 24 38 39 2 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 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 5.2531 4.6783 4.6783 2 3.732 4.9889 5.2619 3.732 5.9674 4.3211 5.6103 2.866 6.2619 6.2781 4.6318 2.866 5.9209 2 6.8994 7.5673 7.2101 8.5458 8.1886 8.8564 6.3815 3.7144 2.866 6.2619 6.8819 6.2619 6.8848 4.2177 2.866 1.4631 7.3747 6.796 8.9598 8.3812 9.4631 2.8662 -1.6802 -3.2896 -2.9849 -1.9849 -0.7296 -2.4849 -2.9849 -0.5234 0.0147 1.1714 -1.4849 -2.4849 0.4271 0.9652 -3.4849 2.1219 -1.9849 2.3282 1.5838 3.2787 1.7901 3.4849 2.7406 -0.9849 -0.1132 -0.8649 -3.1049 -2.4849 -1.8649 0.555 1.4267 -4.1049 -1.6749 0.9945 3.7401 1.3286 4.0742 2.8684 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 6 6 8 9 10 11 11 12 19 19 20 21 22 23 5 7 7 8 16 18 8 12 9 10 16 14 15 14 15 18 20 21 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 440 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B20000000000000000000000000000001600000003C608000000000005801FC00001E00000000000C0CC19F043FD0B70C1000A803B677640082802D3512A009D8213874D88868F2C0DDD1942508688002C8C9A71889C09E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H15N3O/c1-14-22-18-13-21-12-11-19(18)23(14)17-9-7-16(8-10-17)20(24)15-5-3-2-4-6-15/h2-13H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JBYIDVFCNIHHFF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C=CN=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C=CN=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.121512110 24 0 0 0 0 0 0 0 1 -1