tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium

C122H145ClF12K6N24O10 — CID 159580116

About tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium

tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium (PubChem CID 159580116) has the molecular formula C122H145ClF12K6N24O10 and a molecular weight of 2605.68 g/mol. Its IUPAC name is tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
• PubChem CID: 159580116
• Molecular Formula: C122H145ClF12K6N24O10
• Molecular Weight: 2605.68 g/mol
• Exact Mass: 2602.89
• IUPAC Name: tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
• SMILES: C.C.C.C#Cc1ccccc1C1(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(C#Cc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.NC(=O)C1(c2ccccc2CCc2nc(Cc3cnn(C4CCNCC4)c3)ncc2C(F)(F)F)CC1.[K][K].[K][K].[K][K]
• InChI: InChI=1S/C31H37F3N6O3.C31H33F3N6O3.C26H29F3N6O.C19H23ClF3N5O2.C12H11NO.3CH4.6K/c2*1-29(2,3)43-28(42)39-14-10-22(11-15-39)40-19-20(17-37-40)16-26-36-18-24(31(32,33)34)25(38-26)9-8-21-6-4-5-7-23(21)30(12-13-30)27(35)41;27-26(28,29)21-15-32-23(13-17-14-33-35(16-17)19-7-11-31-12-8-19)34-22(21)6-5-18-3-1-2-4-20(18)25(9-10-25)24(30)36;1-18(2,3)30-17(29)27-6-4-13(5-7-27)28-11-12(9-25-28)8-15-24-10-14(16(20)26-15)19(21,22)23;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;;;;;;;;;/h4-7,17-19,22H,8-16H2,1-3H3,(H2,35,41);4-7,17-19,22H,10-16H2,1-3H3,(H2,35,41);1-4,14-16,19,31H,5-13H2,(H2,30,36);9-11,13H,4-8H2,1-3H3;1,3-6H,7-8H2,(H2,13,14);3*1H4
• InChIKey: MIXHGRKPVVSEEN-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 447.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.68
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?

The IUPAC name of tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium (CID 159580116) is tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium.

What is the SMILES notation for tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?

The canonical SMILES for tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium is C.C.C.C#Cc1ccccc1C1(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(C#Cc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.NC(=O)C1(c2ccccc2CCc2nc(Cc3cnn(C4CCNCC4)c3)ncc2C(F)(F)F)CC1.[K][K].[K][K].[K][K].

What is the InChIKey of tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?

The InChIKey is MIXHGRKPVVSEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N6O3.C31H33F3N6O3.C26H29F3N6O.C19H23ClF3N5O2.C12H11NO.3CH4.6K/c2*1-29(2,3)43-28(42)39-14-10-22(11-15-39)40-19-20(17-37-40)16-26-36-18-24(31(32,33)34)25(38-26)9-8-21-6-4-5-7-23(21)30(12-13-30)27(35)41;27-26(28,29)21-15-32-23(13-17-14-33-35(16-17)19-7-11-31-12-8-19)34-22(21)6-5-18-3-1-2-4-20(18)25(9-10-25)24(30)36;1-18(2,3)30-17(29)27-6-4-13(5-7-27)28-11-12(9-25-28)8-15-24-10-14(16(20)26-15)19(21,22)23;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;;;;;;;;;/h4-7,17-19,22H,8-16H2,1-3H3,(H2,35,41);4-7,17-19,22H,10-16H2,1-3H3,(H2,35,41);1-4,14-16,19,31H,5-13H2,(H2,30,36);9-11,13H,4-8H2,1-3H3;1,3-6H,7-8H2,(H2,13,14);3*1H4;;;;;;.

What are the key properties of tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?

tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium has a molecular weight of 2605.68 g/mol, XLogP of 18.75, 26 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium is sourced from PubChem (CID 159580116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).