N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H23F2N7O2 — CID 169265983

About N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 169265983) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 169265983
• Molecular Formula: C24H23F2N7O2
• Molecular Weight: 479.49 g/mol
• Exact Mass: 479.19
• IUPAC Name: N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cncn54)c3F)CC2)c(F)n1
• InChI: InChI=1S/C24H23F2N7O2/c25-20-14(1-5-17-21(20)30-24(35)19-11-27-13-33(17)19)12-31-7-9-32(10-8-31)18-6-4-16(29-22(18)26)23(34)28-15-2-3-15/h1,4-6,11,13,15H,2-3,7-10,12H2,(H,28,34)(H,30,35)
• InChIKey: IJRXBODDUFYWNK-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 98.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.49
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 169265983) is N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cncn54)c3F)CC2)c(F)n1.

What is the InChIKey of N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is IJRXBODDUFYWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c25-20-14(1-5-17-21(20)30-24(35)19-11-27-13-33(17)19)12-31-7-9-32(10-8-31)18-6-4-16(29-22(18)26)23(34)28-15-2-3-15/h1,4-6,11,13,15H,2-3,7-10,12H2,(H,28,34)(H,30,35).

What are the key properties of N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169265983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).