5309500 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 8 7 7 7 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 3 3 3 4 4 4 5 6 6 7 7 9 9 10 10 11 12 12 13 13 14 14 15 15 16 17 17 18 18 19 20 21 21 21 8 20 5 6 12 8 9 24 11 7 10 8 11 13 17 15 22 23 16 25 14 26 18 20 16 27 28 19 29 19 30 31 21 32 33 34 2 2 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 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 4.3211 4.2746 3.732 5.9674 4.6783 3.732 4.6783 4.9889 6.2781 2.866 5.2619 2.866 5.6103 5.9209 2 2 7.2566 6.8994 7.5673 5.2531 5.5637 2.866 5.8819 6.3815 2.866 5.0036 1.4631 1.4631 7.6707 7.092 8.1739 6.1531 5.7564 4.9744 -0.1513 2.4941 -3.1508 -0.6893 -3.4556 -2.1508 -1.8461 -0.8956 0.2612 -1.6508 -2.6508 -3.6508 1.0055 1.956 -2.1508 -3.1508 0.4674 2.1622 1.4179 2.7003 3.6508 -1.0308 -2.6508 -1.1508 -4.2708 0.8776 -1.8408 -3.4608 0.0059 2.7515 1.5458 3.4582 4.2401 3.8434 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 6 6 7 9 9 10 12 13 14 15 17 18 5 6 12 11 7 10 11 13 17 15 16 14 18 16 19 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 412 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B30000000000000000000000000000001600000003C400000000000005801F000001E00180000000C0CC19E043EC0B2C81000AA03B577540092842035822018D8213864D80820FAC0D5D184A588609C00C8C9C71C88C08E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-3-pyrazolo[1,5-a]pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-ethanoylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H13N3O2/c1-11(20)12-5-4-6-13(9-12)18-16(21)14-10-17-19-8-3-2-7-15(14)19/h2-10H,1H3,(H,18,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YPNWFDZOANAVFB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.100776666 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H13N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C3C=CC=CN3N=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C3C=CC=CN3N=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.100776666 21 0 0 0 0 0 0 0 1 -1