4593 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 8 7 7 7 7 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 2 2 2 3 3 3 4 4 5 6 6 6 7 7 8 9 10 11 11 12 12 13 14 14 15 15 16 16 16 18 17 9 10 14 8 17 24 10 18 19 7 9 11 8 12 16 20 13 13 21 15 22 23 18 25 17 19 26 27 28 29 2 1 1 1 1 1 1 2 1 3 1 2 1 2 1 1 1 1 2 1 2 1 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 2.866 8.0622 4.5981 9.0084 2 6.3301 5.4641 5.4641 7.1962 8.0622 6.3301 4.5981 7.1962 9.0084 3.732 6.3301 3.732 9.592 2.866 7.1962 5.7932 4.5981 7.1962 4.5981 9.201 6.6401 6.8671 6.0201 10.212 1.44 -0.56 1.44 -1.8647 -1.06 -0.56 -0.06 0.94 -0.06 -1.56 -1.56 -0.56 -2.06 -0.2553 -0.06 1.44 0.94 -1.06 -0.56 0.56 -1.87 -1.18 -2.68 2.06 0.3341 0.9031 1.75 1.9769 -1.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 6 6 7 7 10 11 12 14 15 9 10 14 8 17 10 18 9 11 8 12 13 13 15 18 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 525 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073A0000000000000000000000000000001600000002C400000000000005801E000001E00100000000C08C19B043FB09FCC1800B80637777400A2802D3112A009D8213874D888E8E2C09991942008689402C8C9A71000000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-imidazo[1,2-a]pyridinyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1<I>H</I>-pyridine-3-carbonitrile IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxidanylidene-1H-pyridine-3-carbonitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-imidazo[1,2-a]pyridin-6-yl-2-keto-6-methyl-1H-pyridine-3-carbonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JPAWFIIYTJQOKW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.08546096 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 70.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.08546096 19 0 0 0 0 0 0 0 1 -1