2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen

C155H135Cl2F13N8O29S — CID 160732800

IUPAC2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen
SMILESCC(=O)c1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1Cl.CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1C.COc1cc(C(=O)O)cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.COc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)ccc1Cl.Cc1cc(C(=O)O)ccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.O=C(O)c1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H28ClN3O5S.C27H23F2NO4.C26H20ClF2NO4.C25H16F5NO5.C25H19F2NO6.C25H19F2NO5.5H2/c1-36-24-16-19(9-12-22(24)28)27(13-14-27)26(33)30-25-6-2-5-23(29-25)18-7-10-21(11-8-18)37(34,35)31-15-3-4-20(31)17-32;1-15-7-9-19(30-25(15)21-6-4-5-20(16(21)2)17(3)31)14-24(32)26(11-12-26)18-8-10-22-23(13-18)34-27(28,29)33-22;1-14-3-6-18(30-24(14)16-4-7-20(27)19(11-16)15(2)31)13-23(32)25(9-10-25)17-5-8-21-22(12-17)34-26(28,29)33-21;26-24(27,28)17-7-6-16(31-21(17)13-1-3-14(4-2-13)22(33)34)12-20(32)23(9-10-23)15-5-8-18-19(11-15)36-25(29,30)35-18;1-32-18-10-14(9-15(11-18)23(30)31)19-4-2-3-17(28-19)13-22(29)24(7-8-24)16-5-6-20-21(12-16)34-25(26,27)33-20;1-14-11-15(23(30)31)5-7-18(14)19-4-2-3-17(28-19)13-22(29)24(9-10-24)16-6-8-20-21(12-16)33-25(26,27)32-20;;;;;/h2,5-12,16,20,32H,3-4,13-15,17H2,1H3,(H,29,30,33);4-10,13H,11-12,14H2,1-3H3;3-8,11-12H,9-10,13H2,1-2H3;1-8,11H,9-10,12H2,(H,33,34);2-6,9-12H,7-8,13H2,1H3,(H,30,31);2-8,11-12H,9-10,13H2,1H3,(H,30,31);5*1H/t20-;;;;;;;;;;/m1........../s1
InChIKeyRUOIKIKUNPNQDV-WDTIYYIKSA-N
MW2923.76 g/mol
LogP32.44
Rot. Bonds39

About 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen

2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen (PubChem CID 160732800) has the molecular formula C155H135Cl2F13N8O29S and a molecular weight of 2923.76 g/mol. Its IUPAC name is 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen.

Molecular Properties

Compound Name2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen
PubChem CID160732800
Molecular FormulaC155H135Cl2F13N8O29S
Molecular Weight2923.76 g/mol
Exact Mass2920.82
IUPAC Name2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen
SMILESCC(=O)c1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1Cl.CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1C.COc1cc(C(=O)O)cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.COc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)ccc1Cl.Cc1cc(C(=O)O)ccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.O=C(O)c1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H28ClN3O5S.C27H23F2NO4.C26H20ClF2NO4.C25H16F5NO5.C25H19F2NO6.C25H19F2NO5.5H2/c1-36-24-16-19(9-12-22(24)28)27(13-14-27)26(33)30-25-6-2-5-23(29-25)18-7-10-21(11-8-18)37(34,35)31-15-3-4-20(31)17-32;1-15-7-9-19(30-25(15)21-6-4-5-20(16(21)2)17(3)31)14-24(32)26(11-12-26)18-8-10-22-23(13-18)34-27(28,29)33-22;1-14-3-6-18(30-24(14)16-4-7-20(27)19(11-16)15(2)31)13-23(32)25(9-10-25)17-5-8-21-22(12-17)34-26(28,29)33-21;26-24(27,28)17-7-6-16(31-21(17)13-1-3-14(4-2-13)22(33)34)12-20(32)23(9-10-23)15-5-8-18-19(11-15)36-25(29,30)35-18;1-32-18-10-14(9-15(11-18)23(30)31)19-4-2-3-17(28-19)13-22(29)24(7-8-24)16-5-6-20-21(12-16)34-25(26,27)33-20;1-14-11-15(23(30)31)5-7-18(14)19-4-2-3-17(28-19)13-22(29)24(9-10-24)16-6-8-20-21(12-16)33-25(26,27)32-20;;;;;/h2,5-12,16,20,32H,3-4,13-15,17H2,1H3,(H,29,30,33);4-10,13H,11-12,14H2,1-3H3;3-8,11-12H,9-10,13H2,1-2H3;1-8,11H,9-10,12H2,(H,33,34);2-6,9-12H,7-8,13H2,1H3,(H,30,31);2-8,11-12H,9-10,13H2,1H3,(H,30,31);5*1H/t20-;;;;;;;;;;/m1........../s1
InChIKeyRUOIKIKUNPNQDV-WDTIYYIKSA-N
XLogP32.44
TPSA506.20 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.76
LogP ≤ 532.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159869960
N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide
CID 59166290
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-3-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
CID 159454847
2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone
CID 58347136
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161128644
2-[6-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]-2-pyridinyl]-1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[2-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 161325603
N-[6-[4-[(2S)-2-ethylpyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 162241646
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3,4-dimethyl-5-(3-methylphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 162139491
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]ethanone;molecular hydrogen
CID 161356464
2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone
CID 161027596
1-[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]-2-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]ethanone;molecular hydrogen
CID 160675171
4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen
CID 159888408

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen?
The IUPAC name of 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen (CID 160732800) is 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen.
What is the SMILES notation for 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen?
The canonical SMILES for 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen is CC(=O)c1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1Cl.CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1C.COc1cc(C(=O)O)cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.COc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)ccc1Cl.Cc1cc(C(=O)O)ccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.O=C(O)c1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen?
The InChIKey is RUOIKIKUNPNQDV-WDTIYYIKSA-N. The full InChI is InChI=1S/C27H28ClN3O5S.C27H23F2NO4.C26H20ClF2NO4.C25H16F5NO5.C25H19F2NO6.C25H19F2NO5.5H2/c1-36-24-16-19(9-12-22(24)28)27(13-14-27)26(33)30-25-6-2-5-23(29-25)18-7-10-21(11-8-18)37(34,35)31-15-3-4-20(31)17-32;1-15-7-9-19(30-25(15)21-6-4-5-20(16(21)2)17(3)31)14-24(32)26(11-12-26)18-8-10-22-23(13-18)34-27(28,29)33-22;1-14-3-6-18(30-24(14)16-4-7-20(27)19(11-16)15(2)31)13-23(32)25(9-10-25)17-5-8-21-22(12-17)34-26(28,29)33-21;26-24(27,28)17-7-6-16(31-21(17)13-1-3-14(4-2-13)22(33)34)12-20(32)23(9-10-23)15-5-8-18-19(11-15)36-25(29,30)35-18;1-32-18-10-14(9-15(11-18)23(30)31)19-4-2-3-17(28-19)13-22(29)24(7-8-24)16-5-6-20-21(12-16)34-25(26,27)33-20;1-14-11-15(23(30)31)5-7-18(14)19-4-2-3-17(28-19)13-22(29)24(9-10-24)16-6-8-20-21(12-16)33-25(26,27)32-20;;;;;/h2,5-12,16,20,32H,3-4,13-15,17H2,1H3,(H,29,30,33);4-10,13H,11-12,14H2,1-3H3;3-8,11-12H,9-10,13H2,1-2H3;1-8,11H,9-10,12H2,(H,33,34);2-6,9-12H,7-8,13H2,1H3,(H,30,31);2-8,11-12H,9-10,13H2,1H3,(H,30,31);5*1H/t20-;;;;;;;;;;/m1........../s1.
What are the key properties of 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen?
2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen has a molecular weight of 2923.76 g/mol, XLogP of 32.44, 39 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-acetyl-4-chlorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-2-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 160732800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).