69223258 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 37 38 39 40 41 42 43 44 45 8 8 7 7 7 6 6 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 1 1 1 1 1 1 1 2 2 3 3 3 4 5 5 6 6 6 7 8 9 9 10 11 11 12 12 13 13 14 14 15 16 16 17 18 18 20 20 21 21 22 22 23 24 24 24 25 25 25 26 26 26 15 25 19 26 4 7 14 8 10 21 7 8 9 11 10 12 13 20 16 27 15 28 18 29 17 30 19 17 31 32 19 33 22 34 23 24 23 35 36 37 38 39 40 41 42 43 44 45 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 2 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 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 35 36 37 38 39 40 41 42 43 44 45 7.2566 5.9209 3.732 4.6783 6.7619 4.6783 3.732 5.2619 4.9889 6.2619 2.866 5.9674 4.3211 2.866 6.2781 2 2 4.6318 5.6103 6.7619 7.7619 7.7619 8.2619 8.2619 7.5673 5.2531 2.866 6.3815 3.7144 2.866 1.4631 1.4631 4.2177 6.4519 8.0719 8.8819 7.7249 8.5719 8.7988 8.1566 7.7599 6.978 5.7145 4.839 4.7916 1.3087 2.7973 -2.3095 -2.6143 -2.6756 -1.0048 -1.3095 -1.8095 -0.0543 -1.8095 -0.8095 0.1519 0.69 -2.8095 1.1025 -1.3095 -2.3095 1.6405 1.8468 -0.9435 -2.6756 -0.9435 -1.8095 -3.5416 2.2592 3.5416 -0.1895 -0.3095 0.5622 -3.4295 -0.9995 -2.6195 2.102 -0.4066 -0.4066 -1.8095 -3.8516 -4.0785 -3.2316 2.0666 2.8485 2.4518 3.9556 4.003 3.1275 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 5 5 6 6 7 9 9 10 11 12 13 14 15 16 18 20 21 22 4 7 14 8 10 21 7 8 11 12 13 20 16 15 18 17 19 17 19 22 23 23 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 463 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C588000000000005801FC00001E00080000000C0CC19E063EC6B2081400A20334674400928C2031A22018D8203EEC980D66E2C4F1DB94B42A64C811CAE80790D0F30EA0000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H19N3O2/c1-14-7-6-8-16(22-14)21-20(17-9-4-5-12-24(17)23-21)15-10-11-18(25-2)19(13-15)26-3/h4-13H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OVDGNWZZQORLSD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=CC(=C(C=C4)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=CC(=C(C=C4)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.147726857 26 0 0 0 0 0 0 0 1 -1