69092929 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 8 7 7 7 7 7 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 5 6 6 7 7 8 8 9 10 10 11 12 12 13 14 15 15 15 16 16 16 18 19 19 20 17 7 8 9 9 11 14 19 17 31 32 18 20 11 12 10 14 15 13 16 17 13 21 22 18 23 24 25 26 27 28 29 20 30 33 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 5.1871 4.5981 6.1279 4.5981 6.8335 2.866 4.5981 3.732 5.5443 2.866 5.5443 3.732 2.866 3.732 5.855 2 5.855 2.866 4.5981 3.732 3.732 2.3291 5.2656 6.0476 6.4443 1.69 1.4631 2.31 2.3291 5.135 7.0261 7.2475 3.732 3.2242 0.2246 0.7246 -1.7754 2.6861 -2.7754 1.2246 -0.2754 -0.0801 0.2246 1.5293 1.7246 1.2246 -1.2754 -1.0306 -0.2754 2.4799 -1.7754 -2.7754 -3.2754 2.3446 1.5346 -1.2233 -1.62 -0.838 0.2615 -0.5854 -0.8123 -1.4654 -3.0854 3.2754 2.2246 -3.8954 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 6 6 7 7 8 10 12 14 19 7 8 9 9 11 14 19 18 20 11 12 10 13 13 18 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 377 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371C073A0000000000000000000000000000001600000002C580000000000005801F800001E00100000000C08C19F043FD0B74C1800A8033777740082802D3712A009D821B874D88868FAC0DDB1942188688002C8C9671888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,6-dimethyl-5-pyrazin-2-yl-imidazo[1,5-a]pyridine-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,6-dimethyl-5-(2-pyrazinyl)-1-imidazo[1,5-a]pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,6-dimethyl-5-pyrazin-2-ylimidazo[1,5-a]pyridine-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,6-dimethyl-5-pyrazin-2-ylimidazo[1,5-a]pyridine-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,6-dimethyl-5-pyrazin-2-yl-imidazo[1,5-a]pyridine-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,6-dimethyl-5-pyrazin-2-yl-imidazo[1,5-a]pyridine-1-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H13N5O/c1-8-3-4-11-12(14(15)20)18-9(2)19(11)13(8)10-7-16-5-6-17-10/h3-7H,1-2H3,(H2,15,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NAFXTLHVYOWFAO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.11201006 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H13N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C(=NC(=C2C=C1)C(=O)N)C)C3=NC=CN=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C(=NC(=C2C=C1)C(=O)N)C)C3=NC=CN=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.11201006 20 0 0 0 0 0 0 0 1 -1