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

C30H25F5N4O2 — CID 162186523

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

5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 162186523) has the molecular formula C30H25F5N4O2 and a molecular weight of 568.55 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 162186523
• Molecular Formula: C30H25F5N4O2
• Molecular Weight: 568.55 g/mol
• Exact Mass: 568.19
• IUPAC Name: 5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)cc2C2CC2)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C30H25F5N4O2/c31-20-9-16(10-21(32)13-20)8-19(11-22(40)15-39-27(17-3-4-17)14-26(38-39)29(34)35)28-23(2-1-7-37-28)18-5-6-25(33)24(12-18)30(36)41/h1-2,5-7,9-10,12-14,17,19,29H,3-4,8,11,15H2,(H2,36,41)/t19-/m1/s1
• InChIKey: ZPSMAMVLLWNELZ-LJQANCHMSA-N
• XLogP: 6.26
• TPSA: 90.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.55
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 162186523) is 5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)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-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)cc2C2CC2)Cc2cc(F)cc(F)c2)ccc1F.

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

The InChIKey is ZPSMAMVLLWNELZ-LJQANCHMSA-N. The full InChI is InChI=1S/C30H25F5N4O2/c31-20-9-16(10-21(32)13-20)8-19(11-22(40)15-39-27(17-3-4-17)14-26(38-39)29(34)35)28-23(2-1-7-37-28)18-5-6-25(33)24(12-18)30(36)41/h1-2,5-7,9-10,12-14,17,19,29H,3-4,8,11,15H2,(H2,36,41)/t19-/m1/s1.

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

5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 568.55 g/mol, XLogP of 6.26, 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-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 162186523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).