1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen

C146H122F15N11O27 — CID 158371950

IUPAC1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen
SMILESCOC(=O)c1cc(O)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.COC(=O)c1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.Cc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(N)=O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(F)(F)F)n1.O=C(Nc1cccc(-c2ccc[nH]c2=O)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H19F2NO7.C26H21F2NO6.C25H20F2N2O4.C24H17F5N2O3.C24H20F2N2O3.C21H15F2N3O4.5H2/c1-34-24(33)18-7-6-17(29-22(18)14-3-2-4-15(11-14)23(31)32)13-21(30)25(9-10-25)16-5-8-19-20(12-16)36-26(27,28)35-19;1-14-3-5-18(29-23(14)15-9-16(24(32)33-2)11-19(30)10-15)13-22(31)25(7-8-25)17-4-6-20-21(12-17)35-26(27,28)34-20;1-14-2-8-18(29-22(14)15-3-5-16(6-4-15)23(28)31)13-21(30)24(10-11-24)17-7-9-19-20(12-17)33-25(26,27)32-19;1-13-5-7-15(30-21(13)16-3-2-4-19(31-16)23(25,26)27)12-20(32)22(9-10-22)14-6-8-17-18(11-14)34-24(28,29)33-17;1-14-3-7-18(28-22(14)16-5-4-15(2)27-13-16)12-21(29)23(9-10-23)17-6-8-19-20(11-17)31-24(25,26)30-19;22-21(23)29-15-7-6-12(11-16(15)30-21)20(8-9-20)19(28)26-17-5-1-4-14(25-17)13-3-2-10-24-18(13)27;;;;;/h2-8,11-12H,9-10,13H2,1H3,(H,31,32);3-6,9-12,30H,7-8,13H2,1-2H3;2-9,12H,10-11,13H2,1H3,(H2,28,31);2-8,11H,9-10,12H2,1H3;3-8,11,13H,9-10,12H2,1-2H3;1-7,10-11H,8-9H2,(H,24,27)(H,25,26,28);5*1H
InChIKeyGUSIMNLBCSBNTA-UHFFFAOYSA-N
MW2747.60 g/mol
LogP28.65
Rot. Bonds33

About 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen (PubChem CID 158371950) has the molecular formula C146H122F15N11O27 and a molecular weight of 2747.60 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen
PubChem CID158371950
Molecular FormulaC146H122F15N11O27
Molecular Weight2747.60 g/mol
Exact Mass2745.83
IUPAC Name1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen
SMILESCOC(=O)c1cc(O)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.COC(=O)c1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.Cc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(N)=O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(F)(F)F)n1.O=C(Nc1cccc(-c2ccc[nH]c2=O)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H19F2NO7.C26H21F2NO6.C25H20F2N2O4.C24H17F5N2O3.C24H20F2N2O3.C21H15F2N3O4.5H2/c1-34-24(33)18-7-6-17(29-22(18)14-3-2-4-15(11-14)23(31)32)13-21(30)25(9-10-25)16-5-8-19-20(12-16)36-26(27,28)35-19;1-14-3-5-18(29-23(14)15-9-16(24(32)33-2)11-19(30)10-15)13-22(31)25(7-8-25)17-4-6-20-21(12-17)35-26(27,28)34-20;1-14-2-8-18(29-22(14)15-3-5-16(6-4-15)23(28)31)13-21(30)24(10-11-24)17-7-9-19-20(12-17)33-25(26,27)32-19;1-13-5-7-15(30-21(13)16-3-2-4-19(31-16)23(25,26)27)12-20(32)22(9-10-22)14-6-8-17-18(11-14)34-24(28,29)33-17;1-14-3-7-18(28-22(14)16-5-4-15(2)27-13-16)12-21(29)23(9-10-23)17-6-8-19-20(11-17)31-24(25,26)30-19;22-21(23)29-15-7-6-12(11-16(15)30-21)20(8-9-20)19(28)26-17-5-1-4-14(25-17)13-3-2-10-24-18(13)27;;;;;/h2-8,11-12H,9-10,13H2,1H3,(H,31,32);3-6,9-12,30H,7-8,13H2,1-2H3;2-9,12H,10-11,13H2,1H3,(H2,28,31);2-8,11H,9-10,12H2,1H3;3-8,11,13H,9-10,12H2,1-2H3;1-7,10-11H,8-9H2,(H,24,27)(H,25,26,28);5*1H
InChIKeyGUSIMNLBCSBNTA-UHFFFAOYSA-N
XLogP28.65
TPSA514.41 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002747.60
LogP ≤ 528.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-2-pyridinyl)ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N-methylbenzenesulfinamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]propan-1-one;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;hydrate
CID 157248161
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]benzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-3-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157303137
2-bromo-3-methylpyridine;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-hydroxy-3-methyl-2-(3-methylphenyl)pyridin-1-ium;bis(5-methyl-6-(3-methylphenyl)pyridin-2-amine);3-methyl-2-(3-methylphenyl)pyridine;(3-methylphenyl)boronic acid
CID 157554215
4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;N-[6-(4-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157598470
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-methylphenyl)-2-pyridinyl]ethanone;N-[[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]methyl]-2,2,2-trifluoroacetamide;methyl 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]benzoate;molecular hydrogen
CID 157782072
CID 157939053
CID 157939053
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-lambda4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 158039797
3-[6-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(hydroxymethyl)-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;methyl 6-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylate;methyl 6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylate
CID 158125066
N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen
CID 158176092
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158224708
4-[6-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-2-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen
CID 158700356
3-[6-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-2-methoxybenzoic acid;molecular hydrogen
CID 158898690

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen?
The IUPAC name of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen (CID 158371950) is 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen.
What is the SMILES notation for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen?
The canonical SMILES for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen is COC(=O)c1cc(O)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.COC(=O)c1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.Cc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(N)=O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(F)(F)F)n1.O=C(Nc1cccc(-c2ccc[nH]c2=O)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen?
The InChIKey is GUSIMNLBCSBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2NO7.C26H21F2NO6.C25H20F2N2O4.C24H17F5N2O3.C24H20F2N2O3.C21H15F2N3O4.5H2/c1-34-24(33)18-7-6-17(29-22(18)14-3-2-4-15(11-14)23(31)32)13-21(30)25(9-10-25)16-5-8-19-20(12-16)36-26(27,28)35-19;1-14-3-5-18(29-23(14)15-9-16(24(32)33-2)11-19(30)10-15)13-22(31)25(7-8-25)17-4-6-20-21(12-17)35-26(27,28)34-20;1-14-2-8-18(29-22(14)15-3-5-16(6-4-15)23(28)31)13-21(30)24(10-11-24)17-7-9-19-20(12-17)33-25(26,27)32-19;1-13-5-7-15(30-21(13)16-3-2-4-19(31-16)23(25,26)27)12-20(32)22(9-10-22)14-6-8-17-18(11-14)34-24(28,29)33-17;1-14-3-7-18(28-22(14)16-5-4-15(2)27-13-16)12-21(29)23(9-10-23)17-6-8-19-20(11-17)31-24(25,26)30-19;22-21(23)29-15-7-6-12(11-16(15)30-21)20(8-9-20)19(28)26-17-5-1-4-14(25-17)13-3-2-10-24-18(13)27;;;;;/h2-8,11-12H,9-10,13H2,1H3,(H,31,32);3-6,9-12,30H,7-8,13H2,1-2H3;2-9,12H,10-11,13H2,1H3,(H2,28,31);2-8,11H,9-10,12H2,1H3;3-8,11,13H,9-10,12H2,1-2H3;1-7,10-11H,8-9H2,(H,24,27)(H,25,26,28);5*1H.
What are the key properties of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen?
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen has a molecular weight of 2747.60 g/mol, XLogP of 28.65, 33 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-methyl-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxycarbonyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-5-hydroxybenzoate;molecular hydrogen is sourced from PubChem (CID 158371950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).