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

C31H26FN5O3 — CID 154598069

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

N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 154598069) has the molecular formula C31H26FN5O3 and a molecular weight of 535.58 g/mol. Its IUPAC name is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 154598069
• Molecular Formula: C31H26FN5O3
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.20
• IUPAC Name: N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: COc1ccc([C@@H]2[C@@H](NC(=O)c3cccnc3)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
• InChI: InChI=1S/C31H26FN5O3/c1-19-28(35-30(38)21-4-3-15-33-17-21)29(20-5-12-26(40-2)13-6-20)36(31(19)39)25-11-14-27-22(16-25)18-34-37(27)24-9-7-23(32)8-10-24/h3-19,28-29H,1-2H3,(H,35,38)/t19-,28-,29+/m0/s1
• InChIKey: QAOATNBLDPSAIU-BYINOTAFSA-N
• XLogP: 5.09
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 154598069) is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is COc1ccc([C@@H]2[C@@H](NC(=O)c3cccnc3)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.

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

The InChIKey is QAOATNBLDPSAIU-BYINOTAFSA-N. The full InChI is InChI=1S/C31H26FN5O3/c1-19-28(35-30(38)21-4-3-15-33-17-21)29(20-5-12-26(40-2)13-6-20)36(31(19)39)25-11-14-27-22(16-25)18-34-37(27)24-9-7-23(32)8-10-24/h3-19,28-29H,1-2H3,(H,35,38)/t19-,28-,29+/m0/s1.

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

N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 535.58 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154598069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).