44125571 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 8 7 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 1 2 2 2 3 3 4 4 5 5 5 6 7 7 7 8 9 9 10 11 11 12 13 14 15 15 16 16 17 17 18 18 19 19 20 21 22 22 23 23 24 14 6 8 9 6 10 13 20 20 37 38 11 8 12 13 25 10 26 14 12 27 28 16 15 17 18 19 29 22 30 23 31 21 32 21 33 24 34 24 35 36 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 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 37 38 10.7629 7.7331 8.6793 4.269 2.5369 7.7331 6.001 6.8671 8.6793 9.2629 6.8671 6.001 5.135 10.2629 10.7629 5.135 10.2629 11.7629 4.269 3.403 3.403 10.7629 12.2629 11.7629 6.8671 8.8719 6.8671 5.4641 5.672 9.6429 12.0729 4.269 2.866 10.4529 12.8829 12.0729 2 2.5369 0.9151 0.549 -0.7557 0.549 0.549 -0.451 0.549 1.049 0.8538 0.049 -0.951 -0.451 1.049 0.049 -0.817 2.049 -1.683 -0.817 2.549 1.049 2.049 -2.549 -1.683 -2.549 1.669 1.4431 -1.571 -0.761 2.359 -1.683 -0.2801 3.169 2.359 -3.086 -1.683 -3.086 0.859 -0.071 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 6 7 7 9 11 13 15 15 16 17 18 19 20 22 23 6 8 9 6 10 13 20 11 8 12 10 12 16 17 18 19 22 23 21 21 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 451 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07BA0000000000000000000000000000001600000003C588000000000005801FC00001E00100000000C0CC19F043DB09F4C1800A803B677640082802D3712A009D821B874D88868FAC0DDB1942188689002C8C9E71888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(6-amino-2-pyridyl)imidazo[1,2-a]pyridin-2-yl]-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(6-amino-2-pyridinyl)-2-imidazo[1,2-a]pyridinyl]-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(6-aminopyridin-2-yl)imidazo[1,2-a]pyridin-2-yl]-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(6-aminopyridin-2-yl)imidazo[1,2-a]pyridin-2-yl]-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(6-azanylpyridin-2-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(6-amino-2-pyridyl)imidazo[1,2-a]pyridin-2-yl]-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H14N4O/c20-17-8-4-7-15(21-17)14-9-10-18-22-16(12-23(18)11-14)19(24)13-5-2-1-3-6-13/h1-12H,(H2,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HKYYQPFCMCRCKU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.11676108 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H14N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)C2=CN3C=C(C=CC3=N2)C4=NC(=CC=C4)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)C2=CN3C=C(C=CC3=N2)C4=NC(=CC=C4)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.11676108 24 0 0 0 0 0 0 0 1 -1