1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen

C125H100ClF11N10O24 — CID 159761441

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

1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen (PubChem CID 159761441) has the molecular formula C125H100ClF11N10O24 and a molecular weight of 2370.65 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen
• PubChem CID: 159761441
• Molecular Formula: C125H100ClF11N10O24
• Molecular Weight: 2370.65 g/mol
• Exact Mass: 2368.64
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen
• SMILES: COc1cc(C(=O)O)cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.Cc1cc(C(=O)O)ccc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(Cl)c(C(=O)O)c1.O=C(Nc1cccc(-c2ccc(C3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(O)c1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H]
• InChI: InChI=1S/C28H28N2O3.C25H20F2N2O6.C24H17ClF2N2O5.C24H15F5N2O5.C24H18F2N2O5.H2/c31-27(28(15-16-28)22-13-14-24-25(17-22)33-18-32-24)30-26-8-4-7-23(29-26)21-11-9-20(10-12-21)19-5-2-1-3-6-19;1-13-3-6-20(28-21(13)14-9-15(22(30)31)11-17(10-14)33-2)29-23(32)24(7-8-24)16-4-5-18-19(12-16)35-25(26,27)34-18;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;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;1-13-11-14(21(29)30)5-7-16(13)17-3-2-4-20(27-17)28-22(31)23(9-10-23)15-6-8-18-19(12-15)33-24(25,26)32-18;/h4,7-14,17,19H,1-3,5-6,15-16,18H2,(H,29,30,31);3-6,9-12H,7-8H2,1-2H3,(H,30,31)(H,28,29,32);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);1-8,11H,9-10H2,(H,32,33)(H,30,31,34);2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31);1H
• InChIKey: NEYBMFZJCONXGQ-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 460.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.65
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen (CID 159761441) is 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen.

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

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen is COc1cc(C(=O)O)cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.Cc1cc(C(=O)O)ccc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(Cl)c(C(=O)O)c1.O=C(Nc1cccc(-c2ccc(C3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(O)c1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)cc1.[H][H].

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

The InChIKey is NEYBMFZJCONXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3.C25H20F2N2O6.C24H17ClF2N2O5.C24H15F5N2O5.C24H18F2N2O5.H2/c31-27(28(15-16-28)22-13-14-24-25(17-22)33-18-32-24)30-26-8-4-7-23(29-26)21-11-9-20(10-12-21)19-5-2-1-3-6-19;1-13-3-6-20(28-21(13)14-9-15(22(30)31)11-17(10-14)33-2)29-23(32)24(7-8-24)16-4-5-18-19(12-16)35-25(26,27)34-18;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;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;1-13-11-14(21(29)30)5-7-16(13)17-3-2-4-20(27-17)28-22(31)23(9-10-23)15-6-8-18-19(12-15)33-24(25,26)32-18;/h4,7-14,17,19H,1-3,5-6,15-16,18H2,(H,29,30,31);3-6,9-12H,7-8H2,1-2H3,(H,30,31)(H,28,29,32);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);1-8,11H,9-10H2,(H,32,33)(H,30,31,34);2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31);1H.

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

1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen has a molecular weight of 2370.65 g/mol, XLogP of 26.80, 26 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-cyclohexylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-5-methoxybenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methylbenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 159761441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).