5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C32H28F6N4O2 — CID 147955667

About 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 147955667) has the molecular formula C32H28F6N4O2 and a molecular weight of 614.59 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 147955667
• Molecular Formula: C32H28F6N4O2
• Molecular Weight: 614.59 g/mol
• Exact Mass: 614.21
• IUPAC Name: 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: CCc1c(C2CC2)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1
• InChI: InChI=1S/C32H28F6N4O2/c1-2-27-28(18-5-6-18)30(32(36,37)38)41-42(27)16-23(43)13-20(10-17-11-21(33)15-22(34)12-17)29-24(4-3-9-40-29)19-7-8-26(35)25(14-19)31(39)44/h3-4,7-9,11-12,14-15,18,20H,2,5-6,10,13,16H2,1H3,(H2,39,44)/t20-/m1/s1
• InChIKey: IOMGQFVBWJMZNR-HXUWFJFHSA-N
• XLogP: 6.91
• TPSA: 90.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.59
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 147955667) is 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CCc1c(C2CC2)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1.

What is the InChIKey of 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is IOMGQFVBWJMZNR-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H28F6N4O2/c1-2-27-28(18-5-6-18)30(32(36,37)38)41-42(27)16-23(43)13-20(10-17-11-21(33)15-22(34)12-17)29-24(4-3-9-40-29)19-7-8-26(35)25(14-19)31(39)44/h3-4,7-9,11-12,14-15,18,20H,2,5-6,10,13,16H2,1H3,(H2,39,44)/t20-/m1/s1.

What are the key properties of 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 614.59 g/mol, XLogP of 6.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 147955667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).