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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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

C156H127Cl2F13N8O30S — CID 159078592

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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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
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)N5[C@@H](CO)CC[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
InChIInChI=1S/C28H30ClN3O6S.C27H23F2NO4.C26H20ClF2NO4.C25H16F5NO5.C25H19F2NO6.C25H19F2NO5/c1-38-25-15-19(7-12-23(25)29)28(13-14-28)27(35)31-26-4-2-3-24(30-26)18-5-10-22(11-6-18)39(36,37)32-20(16-33)8-9-21(32)17-34;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/h2-7,10-12,15,20-21,33-34H,8-9,13-14,16-17H2,1H3,(H,30,31,35);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)/t20-,21-;;;;;/m1...../s1
InChIKeyKAOJSVBIJWIJFK-OKRSHGFLSA-N
MW2943.70 g/mol
LogP30.57
Rot. Bonds40

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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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

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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 (PubChem CID 159078592) has the molecular formula C156H127Cl2F13N8O30S and a molecular weight of 2943.70 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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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
PubChem CID159078592
Molecular FormulaC156H127Cl2F13N8O30S
Molecular Weight2943.70 g/mol
Exact Mass2940.75
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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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
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)N5[C@@H](CO)CC[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
InChIInChI=1S/C28H30ClN3O6S.C27H23F2NO4.C26H20ClF2NO4.C25H16F5NO5.C25H19F2NO6.C25H19F2NO5/c1-38-25-15-19(7-12-23(25)29)28(13-14-28)27(35)31-26-4-2-3-24(30-26)18-5-10-22(11-6-18)39(36,37)32-20(16-33)8-9-21(32)17-34;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/h2-7,10-12,15,20-21,33-34H,8-9,13-14,16-17H2,1H3,(H,30,31,35);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)/t20-,21-;;;;;/m1...../s1
InChIKeyKAOJSVBIJWIJFK-OKRSHGFLSA-N
XLogP30.57
TPSA526.43 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds40
Heavy Atoms210
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002943.70
LogP ≤ 530.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 with MolForge

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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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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?
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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 (CID 159078592) 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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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.
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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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?
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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 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)N5[C@@H](CO)CC[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.
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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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?
The InChIKey is KAOJSVBIJWIJFK-OKRSHGFLSA-N. The full InChI is InChI=1S/C28H30ClN3O6S.C27H23F2NO4.C26H20ClF2NO4.C25H16F5NO5.C25H19F2NO6.C25H19F2NO5/c1-38-25-15-19(7-12-23(25)29)28(13-14-28)27(35)31-26-4-2-3-24(30-26)18-5-10-22(11-6-18)39(36,37)32-20(16-33)8-9-21(32)17-34;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/h2-7,10-12,15,20-21,33-34H,8-9,13-14,16-17H2,1H3,(H,30,31,35);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)/t20-,21-;;;;;/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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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?
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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 has a molecular weight of 2943.70 g/mol, XLogP of 30.57, 40 rotatable bonds, 6 hydrogen bond donors, and 33 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;N-[6-[4-[(2R,5R)-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-chloro-3-methoxyphenyl)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 is sourced from PubChem (CID 159078592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).