44125572 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 6 6 6 7 8 8 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 13 5 7 8 5 9 12 21 10 7 11 12 24 9 25 13 11 26 27 15 14 16 17 18 28 19 29 20 30 23 31 22 32 22 33 23 34 35 36 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 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 9.36 6.3301 7.2764 2.866 6.3301 4.5981 5.4641 7.2764 7.86 5.4641 4.5981 3.732 8.86 9.36 3.732 10.36 8.86 2.866 10.86 9.36 2 10.36 2 5.4641 7.469 5.4641 4.0611 4.269 10.67 8.24 2.866 11.48 9.05 1.4631 10.67 1.4631 0.9151 0.549 -0.7557 0.549 -0.451 0.549 1.049 0.8538 0.049 -0.951 -0.451 1.049 0.049 -0.817 2.049 -0.817 -1.683 2.549 -1.683 -2.549 1.049 -2.549 2.049 1.669 1.4431 -1.571 -0.761 2.359 -0.2801 -1.683 3.169 -1.683 -3.086 0.739 -3.086 2.359 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 6 6 8 10 12 14 14 15 16 17 18 19 20 21 5 7 8 5 9 12 21 10 7 11 9 11 15 16 17 18 19 20 23 22 22 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 00000371C07B20000000000000000000000000000001600000003C588000000000005801FC00001E00000000000C0CC19F043DB09F0C1800A803B677640082802D3712A009D821B874D88868FAC0DDB1942188688002C8C9E71888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-(2-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-[6-(2-pyridinyl)-2-imidazo[1,2-a]pyridinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-(6-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-(6-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-(6-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-(2-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(14-6-2-1-3-7-14)17-13-22-12-15(9-10-18(22)21-17)16-8-4-5-11-20-16/h1-13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DRWFIEAOCYFOBI-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=CN3C=C(C=CC3=N2)C4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(=O)C2=CN3C=C(C=CC3=N2)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