10400705 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 8 7 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 1 2 2 2 3 3 4 4 5 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 13 14 14 14 15 16 17 18 19 20 20 19 6 7 8 8 9 17 18 20 33 34 9 12 10 11 14 17 15 21 16 22 18 23 15 16 19 24 25 26 27 28 29 30 20 31 32 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 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 33 34 5.2531 4.6783 4.6783 2 7.2101 3.732 4.9889 5.2619 3.732 5.9674 4.3211 2.866 5.6103 6.2619 6.2781 4.6318 2.866 2 5.9209 6.8994 6.3815 3.7144 2.866 6.2619 6.8819 6.2619 6.8848 4.2177 2.866 1.4631 6.92 7.5132 7.8168 6.796 2.7386 -1.8078 -3.4172 -3.1125 3.151 -2.1125 -0.8573 -2.6125 -3.1125 -0.651 -0.113 -1.6125 1.0438 -2.6125 0.2995 0.8376 -3.6125 -2.1125 1.9943 2.2005 -1.1125 -0.2408 -0.9925 -3.2325 -2.6125 -1.9925 0.4273 1.299 -4.2325 -1.8025 1.5809 2.1132 3.2789 3.6125 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 6 6 7 7 9 10 11 12 13 13 6 8 8 9 17 18 9 12 10 11 17 15 16 18 15 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 354 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073A0000000000000000000000000000001600000003C400000000000005801FC00001E00100000000C0CC19F043FD0B74C1000A803B677640082802D3512A009D8A1B874D88868F2C0DDD1942508688002C8C9A71889809E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanyl-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H14N4O/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16/h2-7,9H,8,16H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JYQNQUQEXIKBPN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.11676108 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H14N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.11676108 20 0 0 0 0 0 0 0 1 -1