2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide

C26H20F4N4O2 — CID 138684560

About 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide

2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 138684560) has the molecular formula C26H20F4N4O2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
• PubChem CID: 138684560
• Molecular Formula: C26H20F4N4O2
• Molecular Weight: 496.46 g/mol
• Exact Mass: 496.15
• IUPAC Name: 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
• SMILES: CC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1cccc(F)c1
• InChI: InChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)15-3-2-4-18(28)11-15)20-9-10-22-16(12-20)14-31-34(22)19-7-5-17(27)6-8-19/h2-12,14,21,24H,13H2,1H3,(H,32,36)
• InChIKey: YXVQPERVNUBGOS-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.46
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?

The IUPAC name of 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (CID 138684560) is 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.

What is the SMILES notation for 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?

The canonical SMILES for 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1cccc(F)c1.

What is the InChIKey of 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?

The InChIKey is YXVQPERVNUBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)15-3-2-4-18(28)11-15)20-9-10-22-16(12-20)14-31-34(22)19-7-5-17(27)6-8-19/h2-12,14,21,24H,13H2,1H3,(H,32,36).

What are the key properties of 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?

2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 496.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).