67919327 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 8 7 7 7 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 2 2 2 3 3 4 4 5 5 6 7 8 8 9 10 10 11 11 12 12 13 13 13 14 15 16 17 17 17 18 19 19 19 18 6 9 20 5 9 7 14 6 7 10 8 11 12 17 14 21 15 22 16 23 15 16 18 24 25 26 27 28 29 19 30 31 32 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 2 1 1 1 2 1 2 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 3.732 4.6783 4.6783 2 3.732 3.732 2.866 2.866 5.2619 2.866 2 3.732 2.866 2 2 3.732 6.2619 2.866 2 4.8709 2.866 1.4631 4.269 1.4631 1.4631 4.269 6.2619 6.8819 6.2619 1.69 1.4631 2.31 -3.447 2.8577 1.2482 1.553 1.553 2.553 1.053 0.053 2.053 3.053 -0.447 -0.447 -1.947 2.553 -1.447 -1.447 2.053 -2.947 -3.447 3.447 3.673 -0.137 -0.137 2.863 -1.757 -1.757 1.433 2.053 2.673 -2.9101 -3.757 -3.984 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 8 8 10 11 12 13 13 6 9 5 9 7 14 6 7 10 11 12 14 15 16 15 16 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 338 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07320000000000000000000000000000001600000003C400000000000005801FC00001E00100000000C0CC19F043FD0B6C99000A803B677640082802DB512A009D9213874D88868F2C0DDD1942508689002C8C9A71888C08E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-methyl-1<I>H</I>-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H13N3O/c1-9(19)11-3-5-12(6-4-11)14-15-13(7-8-16-14)17-10(2)18-15/h3-8H,1-2H3,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TVQDOKKHUPNTAY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.105862047 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H13N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC2=C(N1)C=CN=C2C3=CC=C(C=C3)C(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC2=C(N1)C=CN=C2C3=CC=C(C=C3)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.105862047 19 0 0 0 0 0 0 0 1 -1