24761099 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 17 8 8 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 1 1 1 2 2 3 3 4 4 4 5 5 6 7 7 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 16 17 18 18 32 17 30 19 31 6 8 12 6 7 10 8 9 20 14 15 11 21 13 16 13 22 23 17 24 18 25 26 27 28 19 19 29 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 3.9874 7.6648 8.6648 3.135 4.0812 3.135 4.6648 4.0812 5.6648 2.269 1.403 2.269 1.403 6.1648 6.1648 0.5369 7.1648 7.1648 7.6648 4.2738 2.269 2.269 0.866 5.8548 5.8548 0.2269 0 0.8469 7.4748 7.3548 8.9748 4.9874 0 3.034 4.766 5.266 3.9613 4.266 4.766 5.5708 4.766 3.766 4.266 5.766 5.266 3.9 5.632 3.766 3.9 5.632 4.766 6.1601 3.146 6.386 5.576 3.3631 6.169 4.303 3.456 3.2291 6.169 2.497 5.303 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 7 9 9 10 11 12 14 15 17 18 6 8 12 6 7 10 8 14 15 11 13 13 17 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 300 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07330000400000000000000000000000001600000003C400000000000005801F000001E00000800000C0CC19F043FB69F0C1A00A0033667640082802D3132A009D8203EFC98896EE2C299939470096CC013C9D827B0D0B30E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(7-methyl-2-imidazo[1,2-a]pyridinyl)benzene-1,2-diol;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrocatechol;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H12N2O2.ClH/c1-9-4-5-16-8-11(15-14(16)6-9)10-2-3-12(17)13(18)7-10;/h2-8,17-18H,1H3;1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XNBCSVUOAUWNAN-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.0665554 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H13ClN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=NC(=CN2C=C1)C3=CC(=C(C=C3)O)O.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=NC(=CN2C=C1)C3=CC(=C(C=C3)O)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 57.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.0665554 19 0 0 0 0 0 0 0 2 -1