N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C31H26FN5O2 — CID 154598131

About N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 154598131) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 154598131
• Molecular Formula: C31H26FN5O2
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.21
• IUPAC Name: N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: Cc1cccc([C@@H]2[C@@H](NC(=O)c3cccnc3)[C@@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
• InChI: InChI=1S/C31H26FN5O2/c1-19-5-3-6-21(15-19)29-28(35-30(38)22-7-4-14-33-17-22)20(2)31(39)36(29)26-12-13-27-23(16-26)18-34-37(27)25-10-8-24(32)9-11-25/h3-18,20,28-29H,1-2H3,(H,35,38)/t20-,28+,29-/m1/s1
• InChIKey: RIFVVDRAZWUMHL-IEXUNWISSA-N
• XLogP: 5.39
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 154598131) is N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is Cc1cccc([C@@H]2[C@@H](NC(=O)c3cccnc3)[C@@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.

What is the InChIKey of N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The InChIKey is RIFVVDRAZWUMHL-IEXUNWISSA-N. The full InChI is InChI=1S/C31H26FN5O2/c1-19-5-3-6-21(15-19)29-28(35-30(38)22-7-4-14-33-17-22)20(2)31(39)36(29)26-12-13-27-23(16-26)18-34-37(27)25-10-8-24(32)9-11-25/h3-18,20,28-29H,1-2H3,(H,35,38)/t20-,28+,29-/m1/s1.

What are the key properties of N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 519.58 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154598131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).