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

C31H26FN5O2 — CID 175156813

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

2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 175156813) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 175156813
• Molecular Formula: C31H26FN5O2
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.21
• IUPAC Name: 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: Cc1cccc(C2C(c3ncccc3C(N)=O)C(C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
• InChI: InChI=1S/C31H26FN5O2/c1-18-5-3-6-20(15-18)29-27(28-25(30(33)38)7-4-14-34-28)19(2)31(39)36(29)24-12-13-26-21(16-24)17-35-37(26)23-10-8-22(32)9-11-23/h3-17,19,27,29H,1-2H3,(H2,33,38)
• InChIKey: HTZQYCLYTAYCOT-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 94.11 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	5.47
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-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 175156813) is 2-[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 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is Cc1cccc(C2C(c3ncccc3C(N)=O)C(C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.

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

The InChIKey is HTZQYCLYTAYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2/c1-18-5-3-6-20(15-18)29-27(28-25(30(33)38)7-4-14-34-28)19(2)31(39)36(29)24-12-13-26-21(16-24)17-35-37(26)23-10-8-22(32)9-11-23/h3-17,19,27,29H,1-2H3,(H2,33,38).

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

2-[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 5.47, 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-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175156813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).