5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide

C24H26FN5O2 — CID 176964834

About 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide

5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964834) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 176964834
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: NC(=O)c1ccc(N2CCN(C3CCC(c4cc5ccc(F)cc5c(=O)[nH]4)C3)CC2)cn1
• InChI: InChI=1S/C24H26FN5O2/c25-17-3-1-15-12-22(28-24(32)20(15)13-17)16-2-4-18(11-16)29-7-9-30(10-8-29)19-5-6-21(23(26)31)27-14-19/h1,3,5-6,12-14,16,18H,2,4,7-11H2,(H2,26,31)(H,28,32)
• InChIKey: RPGFZVVYPXSKOJ-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 95.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964834) is 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1ccc(N2CCN(C3CCC(c4cc5ccc(F)cc5c(=O)[nH]4)C3)CC2)cn1.

What is the InChIKey of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is RPGFZVVYPXSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-17-3-1-15-12-22(28-24(32)20(15)13-17)16-2-4-18(11-16)29-7-9-30(10-8-29)19-5-6-21(23(26)31)27-14-19/h1,3,5-6,12-14,16,18H,2,4,7-11H2,(H2,26,31)(H,28,32).

What are the key properties of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?

5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).