11781523 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 8 7 7 7 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 2 2 2 3 3 4 4 5 5 6 7 8 8 9 9 10 10 11 12 12 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 22 23 11 5 6 9 6 7 16 22 7 10 8 11 14 15 12 24 13 25 16 13 26 27 17 28 18 29 20 19 30 19 31 32 21 33 23 34 23 35 36 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 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 4.3211 3.732 5.2619 6.2781 3.732 4.6783 4.6783 4.9889 2.866 2.866 4.9889 2 2 5.9674 4.3211 5.9674 6.2781 4.6318 5.6103 6.6353 7.6138 7.2566 7.9244 2.866 2.866 1.4631 1.4631 6.3815 3.7144 6.8848 4.2177 5.8029 6.4427 8.0279 7.4492 8.5311 2.7686 -0.231 0.269 3.181 0.769 -0.5357 1.0738 -1.4862 -0.731 1.269 2.0243 -0.231 0.769 -1.6924 -2.2305 2.2305 -2.643 -3.181 -3.3872 1.4862 1.6924 3.3872 2.643 -1.351 1.889 -0.541 1.079 -1.231 -2.1027 -2.7708 -3.6425 -3.9766 0.8969 1.231 3.9766 2.7708 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 5 5 8 8 9 10 12 14 15 16 17 18 20 21 22 5 6 9 6 7 16 22 7 10 14 15 12 13 13 17 18 20 19 19 21 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 421 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 00000371C07B20000000000000000000000000000001600000003C588000000000005801FC00001E00000000000C0CC19F043DD0B70C1800A803B677640082802D3712A009D821B874D88868FAC0DDB1942188688002C8C9E71888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-phenylimidazo[1,5-a]pyridin-1-yl)-(2-pyridyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-phenyl-1-imidazo[1,5-a]pyridinyl)-(2-pyridinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-phenylimidazo[1,5-a]pyridin-1-yl)-pyridin-2-ylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-phenylimidazo[1,5-a]pyridin-1-yl)-pyridin-2-ylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-phenylimidazo[1,5-a]pyridin-1-yl)-pyridin-2-yl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-phenylimidazo[1,5-a]pyridin-1-yl)-(2-pyridyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H13N3O/c23-18(15-10-4-6-12-20-15)17-16-11-5-7-13-22(16)19(21-17)14-8-2-1-3-9-14/h1-13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UNTDBMXBKJKIHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.105862047 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H13N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C(=O)C4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C(=O)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.105862047 23 0 0 0 0 0 0 0 1 -1