1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C24H20F7N3O2 — CID 154606320

About 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 154606320) has the molecular formula C24H20F7N3O2 and a molecular weight of 515.43 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• PubChem CID: 154606320
• Molecular Formula: C24H20F7N3O2
• Molecular Weight: 515.43 g/mol
• Exact Mass: 515.14
• IUPAC Name: 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• SMILES: NC(=O)C1CC2CC2([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)N1C(=O)c1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C24H20F7N3O2/c25-16-8-13(23(26,27)28)3-4-15(16)19(11-1-2-11)22-10-14(22)9-17(20(32)35)34(22)21(36)12-5-6-33-18(7-12)24(29,30)31/h3-8,11,14,17,19H,1-2,9-10H2,(H2,32,35)/t14?,17?,19-,22?/m1/s1
• InChIKey: KOZXVILZFJVGRM-QWEMKMHRSA-N
• XLogP: 4.91
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.43
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The IUPAC name of 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 154606320) is 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

What is the SMILES notation for 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The canonical SMILES for 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)N1C(=O)c1ccnc(C(F)(F)F)c1.

What is the InChIKey of 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The InChIKey is KOZXVILZFJVGRM-QWEMKMHRSA-N. The full InChI is InChI=1S/C24H20F7N3O2/c25-16-8-13(23(26,27)28)3-4-15(16)19(11-1-2-11)22-10-14(22)9-17(20(32)35)34(22)21(36)12-5-6-33-18(7-12)24(29,30)31/h3-8,11,14,17,19H,1-2,9-10H2,(H2,32,35)/t14?,17?,19-,22?/m1/s1.

What are the key properties of 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 515.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-[2-(trifluoromethyl)pyridine-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 154606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).