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

C128H126ClF9N12O26S2 — CID 158885632

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

1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158885632) has the molecular formula C128H126ClF9N12O26S2 and a molecular weight of 2519.04 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158885632
• Molecular Formula: C128H126ClF9N12O26S2
• Molecular Weight: 2519.04 g/mol
• Exact Mass: 2516.79
• IUPAC Name: 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: COc1cc(C(=O)O)cc(-c2cccc(NC(=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.COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)cc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1C.O=C(O)c1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H31N3O5S.C27H28ClN3O5S.C25H20F2N2O5.C24H15F5N2O5.C24H18F2N2O6.7H2/c1-19-17-21(10-13-25(19)36-2)28(14-15-28)27(33)30-26-7-3-6-24(29-26)20-8-11-23(12-9-20)37(34,35)31-16-4-5-22(31)18-32;1-36-24-16-19(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;1-13-6-9-20(28-21(13)16-4-3-5-17(14(16)2)22(30)31)29-23(32)24(10-11-24)15-7-8-18-19(12-15)34-25(26,27)33-18;25-23(26,27)15-6-8-18(30-19(15)12-1-3-13(4-2-12)20(32)33)31-21(34)22(9-10-22)14-5-7-16-17(11-14)36-24(28,29)35-16;1-32-16-10-13(9-14(11-16)21(29)30)17-3-2-4-20(27-17)28-22(31)23(7-8-23)15-5-6-18-19(12-15)34-24(25,26)33-18;;;;;;;/h3,6-13,17,22,32H,4-5,14-16,18H2,1-2H3,(H,29,30,33);2,5-12,16,20,32H,3-4,13-15,17H2,1H3,(H,29,30,33);3-9,12H,10-11H2,1-2H3,(H,30,31)(H,28,29,32);1-8,11H,9-10H2,(H,32,33)(H,30,31,34);2-6,9-12H,7-8H2,1H3,(H,29,30)(H,27,28,31);7*1H/t22-;20-;;;;;;;;;;/m11........../s1
• InChIKey: JDPBKHOESLLNIP-WQPHKOIHSA-N
• XLogP: 24.79
• TPSA: 520.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2519.04
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 158885632) is 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen is COc1cc(C(=O)O)cc(-c2cccc(NC(=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.COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)cc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1C.O=C(O)c1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is JDPBKHOESLLNIP-WQPHKOIHSA-N. The full InChI is InChI=1S/C28H31N3O5S.C27H28ClN3O5S.C25H20F2N2O5.C24H15F5N2O5.C24H18F2N2O6.7H2/c1-19-17-21(10-13-25(19)36-2)28(14-15-28)27(33)30-26-7-3-6-24(29-26)20-8-11-23(12-9-20)37(34,35)31-16-4-5-22(31)18-32;1-36-24-16-19(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;1-13-6-9-20(28-21(13)16-4-3-5-17(14(16)2)22(30)31)29-23(32)24(10-11-24)15-7-8-18-19(12-15)34-25(26,27)33-18;25-23(26,27)15-6-8-18(30-19(15)12-1-3-13(4-2-12)20(32)33)31-21(34)22(9-10-22)14-5-7-16-17(11-14)36-24(28,29)35-16;1-32-16-10-13(9-14(11-16)21(29)30)17-3-2-4-20(27-17)28-22(31)23(7-8-23)15-5-6-18-19(12-15)34-24(25,26)33-18;;;;;;;/h3,6-13,17,22,32H,4-5,14-16,18H2,1-2H3,(H,29,30,33);2,5-12,16,20,32H,3-4,13-15,17H2,1H3,(H,29,30,33);3-9,12H,10-11H2,1-2H3,(H,30,31)(H,28,29,32);1-8,11H,9-10H2,(H,32,33)(H,30,31,34);2-6,9-12H,7-8H2,1H3,(H,29,30)(H,27,28,31);7*1H/t22-;20-;;;;;;;;;;/m11........../s1.

What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2519.04 g/mol, XLogP of 24.79, 32 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-methoxyphenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158885632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).