N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H25F3N6O2 — CID 169110832

About N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 169110832) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 169110832
• Molecular Formula: C24H25F3N6O2
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.20
• IUPAC Name: N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: Cc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CC(F)(F)C5)nc4)CC3)c(F)c2[nH]c1=O
• InChI: InChI=1S/C24H25F3N6O2/c1-14-22(34)31-21-18(29-14)4-2-15(20(21)25)13-32-6-8-33(9-7-32)17-3-5-19(28-12-17)23(35)30-16-10-24(26,27)11-16/h2-5,12,16H,6-11,13H2,1H3,(H,30,35)(H,31,34)
• InChIKey: VWJUSWKDMRQHFH-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 169110832) is N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is Cc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CC(F)(F)C5)nc4)CC3)c(F)c2[nH]c1=O.

What is the InChIKey of N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is VWJUSWKDMRQHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-14-22(34)31-21-18(29-14)4-2-15(20(21)25)13-32-6-8-33(9-7-32)17-3-5-19(28-12-17)23(35)30-16-10-24(26,27)11-16/h2-5,12,16H,6-11,13H2,1H3,(H,30,35)(H,31,34).

What are the key properties of N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169110832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).