56125590 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 46 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 13 13 14 14 17 17 17 18 19 20 21 21 22 22 23 23 24 25 25 25 15 40 16 16 17 38 19 20 22 18 19 7 8 26 27 9 28 29 10 30 31 11 32 33 11 12 13 14 34 15 35 15 16 18 36 37 20 21 39 23 41 24 42 24 25 43 44 45 46 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 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 37 38 39 40 41 42 43 44 45 46 3.866 3 3.866 3.5 2.1953 8.2641 8.2641 7.358 7.358 6.4641 6.4641 5.5981 5.5981 4.732 4.732 3.866 3 3 2.5 3.8047 2 4 2.5 3.5 2 8.4732 8.875 8.875 8.4732 6.9534 7.7517 7.7517 6.9534 5.5981 5.5981 2.788 2.3894 4.403 4.394 3.866 1.38 4.62 3.81 1.4631 1.69 2.5369 4.004 2.504 1.0039 -2.0259 -1.0797 2.4831 3.5248 1.9693 4.0386 2.504 3.504 2.004 4.004 2.504 3.504 2.004 0.504 -0.496 -2.0259 -1.0797 -2.8919 -2.8919 -3.7579 -3.7579 -4.624 1.8994 2.5892 3.4187 4.1085 1.4995 1.4903 4.5176 4.5084 1.384 4.624 1.0866 0.3963 0.694 -0.887 4.624 -2.8919 -2.8919 -4.2949 -4.314 -5.1609 -4.934 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 10 10 11 12 13 14 18 19 21 22 23 19 20 22 18 19 11 12 13 14 15 15 20 21 23 24 24 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 486 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 2 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 00000371E07B30000000000000000000000000000001600000003C6080000000000058C1F000001E00100800000C0CC19F043FB69FCC1A00A8033777740082802D3532A009D8A13E7CD8886E76C2DD939471486EE613C8D9A798C8F08EE000030000180000C000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetralin-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-N-[(7-methyl-2-imidazo[1,2-a]pyridinyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-<I>N</I>-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetralin-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21N3O2/c1-13-6-7-23-12-16(22-19(23)8-13)11-21-20(25)17-9-14-4-2-3-5-15(14)10-18(17)24/h6-10,12,24H,2-5,11H2,1H3,(H,21,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HQOWJFQGAJSFOL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.16337692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=C(C=C4CCCCC4=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=C(C=C4CCCCC4=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.16337692 25 0 0 0 0 0 0 0 1 -1