4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C26H35ClF3N5O4S — CID 146286323

About 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286323) has the molecular formula C26H35ClF3N5O4S and a molecular weight of 606.11 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
• PubChem CID: 146286323
• Molecular Formula: C26H35ClF3N5O4S
• Molecular Weight: 606.11 g/mol
• Exact Mass: 605.21
• IUPAC Name: 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC2(C(F)(F)F)CCC2)cc1OC
• InChI: InChI=1S/C26H35ClF3N5O4S/c1-4-35-23(18-14-31-20(12-19(18)39-2)33-15-25(10-5-11-25)26(28,29)30)21(27)22(34-35)24(36)32-13-16-6-8-17(9-7-16)40(3,37)38/h12,14,16-17H,4-11,13,15H2,1-3H3,(H,31,33)(H,32,36)
• InChIKey: BLOGHCODSGXVHZ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 115.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.11
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286323) is 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC2(C(F)(F)F)CCC2)cc1OC.

What is the InChIKey of 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?

The InChIKey is BLOGHCODSGXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClF3N5O4S/c1-4-35-23(18-14-31-20(12-19(18)39-2)33-15-25(10-5-11-25)26(28,29)30)21(27)22(34-35)24(36)32-13-16-6-8-17(9-7-16)40(3,37)38/h12,14,16-17H,4-11,13,15H2,1-3H3,(H,31,33)(H,32,36).

What are the key properties of 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?

4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 606.11 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).