3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid

C191H230F18N18O24S6 — CID 159704903

About 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid

3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid (PubChem CID 159704903) has the molecular formula C191H230F18N18O24S6 and a molecular weight of 3696.41 g/mol. Its IUPAC name is 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid
• PubChem CID: 159704903
• Molecular Formula: C191H230F18N18O24S6
• Molecular Weight: 3696.41 g/mol
• Exact Mass: 3693.54
• IUPAC Name: 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid
• SMILES: CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C(F)(F)F)sc2C(=O)O)C2CCC(Oc3cc(CN(C)C)ccn3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC3(C(F)(F)F)CC3)sc2C(=O)O)C2CCC(Oc3cc(CN(C)C)ccn3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC3(C(F)(F)F)CCC3)sc2C(=O)O)C2CCC(Oc3cc(CN(C)C)ccn3)CC2)CC1.Cc1ccc(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC(C)(C)C(F)(F)F)sc3C(=O)O)CC2)nn1.Cc1ccc(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC4(C(F)(F)F)CC4)sc3C(=O)O)CC2)nn1.Cc1ccc(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC4(C(F)(F)F)CCC4)sc3C(=O)O)CC2)nn1
• InChI: InChI=1S/C34H42F3N3O4S.C33H40F3N3O4S.C33H42F3N3O4S.C31H36F3N3O4S.C30H34F3N3O4S.C30H36F3N3O4S/c1-22-5-7-24(8-6-22)31(41)40(25-9-11-26(12-10-25)44-29-19-23(14-18-38-29)21-39(2)3)28-20-27(45-30(28)32(42)43)13-17-33(15-4-16-33)34(35,36)37;1-21-4-6-23(7-5-21)30(40)39(24-8-10-25(11-9-24)43-28-18-22(13-17-37-28)20-38(2)3)27-19-26(44-29(27)31(41)42)12-14-32(15-16-32)33(34,35)36;1-21-6-8-23(9-7-21)30(40)39(27-19-26(44-29(27)31(41)42)14-16-32(2,3)33(34,35)36)24-10-12-25(13-11-24)43-28-18-22(15-17-37-28)20-38(4)5;1-19-4-7-21(8-5-19)28(38)37(22-9-11-23(12-10-22)41-26-13-6-20(2)35-36-26)25-18-24(42-27(25)29(39)40)14-17-30(15-3-16-30)31(32,33)34;1-18-3-6-20(7-4-18)27(37)36(21-8-10-22(11-9-21)40-25-12-5-19(2)34-35-25)24-17-23(41-26(24)28(38)39)13-14-29(15-16-29)30(31,32)33;1-18-5-8-20(9-6-18)27(37)36(21-10-12-22(13-11-21)40-25-14-7-19(2)34-35-25)24-17-23(41-26(24)28(38)39)15-16-29(3,4)30(31,32)33/h14,18-20,22,24-26H,4-12,15-16,21H2,1-3H3,(H,42,43);13,17-19,21,23-25H,4-11,15-16,20H2,1-3H3,(H,41,42);15,17-19,21,23-25H,6-13,20H2,1-5H3,(H,41,42);6,13,18-19,21-23H,3-5,7-12,15-16H2,1-2H3,(H,39,40);5,12,17-18,20-22H,3-4,6-11,15-16H2,1-2H3,(H,38,39);7,14,17-18,20-22H,5-6,8-13H2,1-4H3,(H,38,39)
• InChIKey: MYBXCMHYJJQPBE-UHFFFAOYSA-N
• XLogP: 43.08
• TPSA: 526.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3696.41
LogP ≤ 5	43.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid?

The IUPAC name of 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid (CID 159704903) is 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid.

What is the SMILES notation for 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid?

The canonical SMILES for 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid is CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C(F)(F)F)sc2C(=O)O)C2CCC(Oc3cc(CN(C)C)ccn3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC3(C(F)(F)F)CC3)sc2C(=O)O)C2CCC(Oc3cc(CN(C)C)ccn3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC3(C(F)(F)F)CCC3)sc2C(=O)O)C2CCC(Oc3cc(CN(C)C)ccn3)CC2)CC1.Cc1ccc(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC(C)(C)C(F)(F)F)sc3C(=O)O)CC2)nn1.Cc1ccc(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC4(C(F)(F)F)CC4)sc3C(=O)O)CC2)nn1.Cc1ccc(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC4(C(F)(F)F)CCC4)sc3C(=O)O)CC2)nn1.

What is the InChIKey of 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid?

The InChIKey is MYBXCMHYJJQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F3N3O4S.C33H40F3N3O4S.C33H42F3N3O4S.C31H36F3N3O4S.C30H34F3N3O4S.C30H36F3N3O4S/c1-22-5-7-24(8-6-22)31(41)40(25-9-11-26(12-10-25)44-29-19-23(14-18-38-29)21-39(2)3)28-20-27(45-30(28)32(42)43)13-17-33(15-4-16-33)34(35,36)37;1-21-4-6-23(7-5-21)30(40)39(24-8-10-25(11-9-24)43-28-18-22(13-17-37-28)20-38(2)3)27-19-26(44-29(27)31(41)42)12-14-32(15-16-32)33(34,35)36;1-21-6-8-23(9-7-21)30(40)39(27-19-26(44-29(27)31(41)42)14-16-32(2,3)33(34,35)36)24-10-12-25(13-11-24)43-28-18-22(15-17-37-28)20-38(4)5;1-19-4-7-21(8-5-19)28(38)37(22-9-11-23(12-10-22)41-26-13-6-20(2)35-36-26)25-18-24(42-27(25)29(39)40)14-17-30(15-3-16-30)31(32,33)34;1-18-3-6-20(7-4-18)27(37)36(21-8-10-22(11-9-21)40-25-12-5-19(2)34-35-25)24-17-23(41-26(24)28(38)39)13-14-29(15-16-29)30(31,32)33;1-18-5-8-20(9-6-18)27(37)36(21-10-12-22(13-11-21)40-25-14-7-19(2)34-35-25)24-17-23(41-26(24)28(38)39)15-16-29(3,4)30(31,32)33/h14,18-20,22,24-26H,4-12,15-16,21H2,1-3H3,(H,42,43);13,17-19,21,23-25H,4-11,15-16,20H2,1-3H3,(H,41,42);15,17-19,21,23-25H,6-13,20H2,1-5H3,(H,41,42);6,13,18-19,21-23H,3-5,7-12,15-16H2,1-2H3,(H,39,40);5,12,17-18,20-22H,3-4,6-11,15-16H2,1-2H3,(H,38,39);7,14,17-18,20-22H,5-6,8-13H2,1-4H3,(H,38,39).

What are the key properties of 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid?

3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid has a molecular weight of 3696.41 g/mol, XLogP of 43.08, 42 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclobutyl]ethynyl]thiophene-2-carboxylic acid;3-[(4-methylcyclohexanecarbonyl)-[4-(6-methylpyridazin-3-yl)oxycyclohexyl]amino]-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 159704903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).