2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide

C30H24FN5O2 — CID 175167208

About 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide

2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 175167208) has the molecular formula C30H24FN5O2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 175167208
• Molecular Formula: C30H24FN5O2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.19
• IUPAC Name: 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: CC1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccccc2)C1c1ncccc1C(N)=O
• InChI: InChI=1S/C30H24FN5O2/c1-18-26(27-24(29(32)37)8-5-15-33-27)28(19-6-3-2-4-7-19)35(30(18)38)23-13-14-25-20(16-23)17-34-36(25)22-11-9-21(31)10-12-22/h2-18,26,28H,1H3,(H2,32,37)
• InChIKey: FVWNIBNEXPCQKY-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 94.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 175167208) is 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide is CC1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccccc2)C1c1ncccc1C(N)=O.

What is the InChIKey of 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?

The InChIKey is FVWNIBNEXPCQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O2/c1-18-26(27-24(29(32)37)8-5-15-33-27)28(19-6-3-2-4-7-19)35(30(18)38)23-13-14-25-20(16-23)17-34-36(25)22-11-9-21(31)10-12-22/h2-18,26,28H,1H3,(H2,32,37).

What are the key properties of 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?

2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175167208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).