2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate

C161H209ClF15N11O23 — CID 159465145

About 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate

2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate (PubChem CID 159465145) has the molecular formula C161H209ClF15N11O23 and a molecular weight of 2986.92 g/mol. Its IUPAC name is 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate.

Molecular Properties

• Compound Name: 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate
• PubChem CID: 159465145
• Molecular Formula: C161H209ClF15N11O23
• Molecular Weight: 2986.92 g/mol
• Exact Mass: 2984.50
• IUPAC Name: 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate
• SMILES: C=COC1CCC(N(C(=O)C2CCC(C)CC2)c2ccc(C)cc2C(=O)OC)CC1.CC1CCC(C(=O)N(c2ccc(Oc3ncc(CN4CCCC(F)(F)C4)cc3C(F)(F)F)cc2C(=O)O)C2CCC(OC3CC3)CC2)CC1.COC(=O)c1cc(C)ccc1N(C(=O)C1CCC(C)CC1)C1CCC(OC2CC2)CC1.COC(=O)c1cc(O)ccc1N(C(=O)C1CCC(C)CC1)C1CCC(OC2CC2)CC1.COC(=O)c1cc(Oc2ncc(CN3CCCC(F)(F)C3)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C1CCC(OC2CC2)CC1.FC1(F)CCCN(Cc2cnc(Cl)c(C(F)(F)F)c2)C1
• InChI: InChI=1S/C37H46F5N3O5.C36H44F5N3O5.C26H37NO4.C25H35NO5.C25H35NO4.C12H12ClF5N2/c1-23-4-6-25(7-5-23)34(46)45(26-8-10-27(11-9-26)49-28-12-13-28)32-15-14-29(19-30(32)35(47)48-2)50-33-31(37(40,41)42)18-24(20-43-33)21-44-17-3-16-36(38,39)22-44;1-22-3-5-24(6-4-22)33(45)44(25-7-9-26(10-8-25)48-27-11-12-27)31-14-13-28(18-29(31)34(46)47)49-32-30(36(39,40)41)17-23(19-42-32)20-43-16-2-15-35(37,38)21-43;1-17-4-7-19(8-5-17)25(28)27(20-9-11-21(12-10-20)31-22-13-14-22)24-15-6-18(2)16-23(24)26(29)30-3;1-16-3-5-17(6-4-16)24(28)26(18-7-10-20(11-8-18)31-21-12-13-21)23-14-9-19(27)15-22(23)25(29)30-2;1-5-30-21-13-11-20(12-14-21)26(24(27)19-9-6-17(2)7-10-19)23-15-8-18(3)16-22(23)25(28)29-4;13-10-9(12(16,17)18)4-8(5-19-10)6-20-3-1-2-11(14,15)7-20/h14-15,18-20,23,25-28H,3-13,16-17,21-22H2,1-2H3;13-14,17-19,22,24-27H,2-12,15-16,20-21H2,1H3,(H,46,47);6,15-17,19-22H,4-5,7-14H2,1-3H3;9,14-18,20-21,27H,3-8,10-13H2,1-2H3;5,8,15-17,19-21H,1,6-7,9-14H2,2-4H3;4-5H,1-3,6-7H2
• InChIKey: LVBVEZIQNLVACM-UHFFFAOYSA-N
• XLogP: 36.69
• TPSA: 377.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2986.92
LogP ≤ 5	36.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate?

The IUPAC name of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate (CID 159465145) is 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate.

What is the SMILES notation for 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate?

The canonical SMILES for 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate is C=COC1CCC(N(C(=O)C2CCC(C)CC2)c2ccc(C)cc2C(=O)OC)CC1.CC1CCC(C(=O)N(c2ccc(Oc3ncc(CN4CCCC(F)(F)C4)cc3C(F)(F)F)cc2C(=O)O)C2CCC(OC3CC3)CC2)CC1.COC(=O)c1cc(C)ccc1N(C(=O)C1CCC(C)CC1)C1CCC(OC2CC2)CC1.COC(=O)c1cc(O)ccc1N(C(=O)C1CCC(C)CC1)C1CCC(OC2CC2)CC1.COC(=O)c1cc(Oc2ncc(CN3CCCC(F)(F)C3)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C1CCC(OC2CC2)CC1.FC1(F)CCCN(Cc2cnc(Cl)c(C(F)(F)F)c2)C1.

What is the InChIKey of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate?

The InChIKey is LVBVEZIQNLVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46F5N3O5.C36H44F5N3O5.C26H37NO4.C25H35NO5.C25H35NO4.C12H12ClF5N2/c1-23-4-6-25(7-5-23)34(46)45(26-8-10-27(11-9-26)49-28-12-13-28)32-15-14-29(19-30(32)35(47)48-2)50-33-31(37(40,41)42)18-24(20-43-33)21-44-17-3-16-36(38,39)22-44;1-22-3-5-24(6-4-22)33(45)44(25-7-9-26(10-8-25)48-27-11-12-27)31-14-13-28(18-29(31)34(46)47)49-32-30(36(39,40)41)17-23(19-42-32)20-43-16-2-15-35(37,38)21-43;1-17-4-7-19(8-5-17)25(28)27(20-9-11-21(12-10-20)31-22-13-14-22)24-15-6-18(2)16-23(24)26(29)30-3;1-16-3-5-17(6-4-16)24(28)26(18-7-10-20(11-8-18)31-21-12-13-21)23-14-9-19(27)15-22(23)25(29)30-2;1-5-30-21-13-11-20(12-14-21)26(24(27)19-9-6-17(2)7-10-19)23-15-8-18(3)16-22(23)25(28)29-4;13-10-9(12(16,17)18)4-8(5-19-10)6-20-3-1-2-11(14,15)7-20/h14-15,18-20,23,25-28H,3-13,16-17,21-22H2,1-2H3;13-14,17-19,22,24-27H,2-12,15-16,20-21H2,1H3,(H,46,47);6,15-17,19-22H,4-5,7-14H2,1-3H3;9,14-18,20-21,27H,3-8,10-13H2,1-2H3;5,8,15-17,19-21H,1,6-7,9-14H2,2-4H3;4-5H,1-3,6-7H2.

What are the key properties of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate?

2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate has a molecular weight of 2986.92 g/mol, XLogP of 36.69, 40 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 159465145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).