5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C31H26F3N5O2 — CID 157399885

About 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 157399885) has the molecular formula C31H26F3N5O2 and a molecular weight of 557.58 g/mol. Its IUPAC name is 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 157399885
• Molecular Formula: C31H26F3N5O2
• Molecular Weight: 557.58 g/mol
• Exact Mass: 557.20
• IUPAC Name: 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• SMILES: CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C#N)c3c2CCC3)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C31H26F3N5O2/c1-36-31(41)26-14-19(7-8-27(26)34)24-5-3-9-37-30(24)20(10-18-11-21(32)15-22(33)12-18)13-23(40)17-39-29-6-2-4-25(29)28(16-35)38-39/h3,5,7-9,11-12,14-15,20H,2,4,6,10,13,17H2,1H3,(H,36,41)/t20-/m1/s1
• InChIKey: UEWRWPYHHVCGJU-HXUWFJFHSA-N
• XLogP: 5.07
• TPSA: 100.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.58
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The IUPAC name of 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 157399885) is 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

What is the SMILES notation for 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The canonical SMILES for 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C#N)c3c2CCC3)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The InChIKey is UEWRWPYHHVCGJU-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H26F3N5O2/c1-36-31(41)26-14-19(7-8-27(26)34)24-5-3-9-37-30(24)20(10-18-11-21(32)15-22(33)12-18)13-23(40)17-39-29-6-2-4-25(29)28(16-35)38-39/h3,5,7-9,11-12,14-15,20H,2,4,6,10,13,17H2,1H3,(H,36,41)/t20-/m1/s1.

What are the key properties of 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 557.58 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 157399885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).