67137693 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 11 11 12 12 13 13 14 15 15 16 17 17 18 18 19 19 20 21 21 22 22 23 10 5 7 9 6 7 16 20 6 8 10 11 15 16 13 24 12 14 25 17 18 14 26 27 19 28 29 21 30 22 31 20 32 33 23 34 23 35 36 2 1 1 1 1 2 1 2 2 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 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 6.7619 3.732 4.6783 6.2781 4.6783 5.2619 3.732 4.9889 2.866 6.2619 2.866 6.7619 2 2 4.3211 5.9674 6.2619 7.7619 4.6318 5.6103 6.7619 8.2619 7.7619 2.866 2.866 1.4631 1.4631 3.7144 6.3815 5.6419 8.0719 4.2177 5.8029 6.4519 8.8819 8.0719 0.3369 -0.0291 -1.3338 2.3829 0.2756 -0.5291 -1.0291 1.2261 0.4709 -0.5291 -1.5291 -1.3951 -0.0291 -1.0291 1.9704 1.4324 -2.2612 -1.3951 2.921 3.1272 -3.1272 -2.2612 -3.1272 1.0909 -2.1491 0.2809 -1.3391 1.8426 0.9709 -2.2612 -0.8582 3.3824 3.7165 -3.6641 -2.2612 -3.6641 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 7 8 8 9 11 12 12 13 15 17 18 19 21 22 5 7 9 6 7 16 20 6 11 15 16 13 14 17 18 14 19 21 22 20 23 23 0 Compound Canonicalized 5 2021.05.07 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 00000371C07B20000000000000000000000000000001600000003C588000000000005801FC00001E00000000000C0CC19F043DB09F0C1800A803B677640082802D3712A009D821B874D88868FAC0DDB1942188688002C8C9E71889C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[3-(3-pyridyl)imidazo[1,2-a]pyridin-2-yl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[3-(3-pyridinyl)-2-imidazo[1,2-a]pyridinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-(3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-(3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-(3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[3-(3-pyridyl)imidazo[1,2-a]pyridin-2-yl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H13N3O/c23-19(14-7-2-1-3-8-14)17-18(15-9-6-11-20-13-15)22-12-5-4-10-16(22)21-17/h1-13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YGIOECCBLLWLEZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 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)C(=O)C2=C(N3C=CC=CC3=N2)C4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(=O)C2=C(N3C=CC=CC3=N2)C4=CN=CC=C4 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