2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide

C24H26FN5O3 — CID 166088852

About 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide

2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide (PubChem CID 166088852) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide.

Molecular Properties

• Compound Name: 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide
• PubChem CID: 166088852
• Molecular Formula: C24H26FN5O3
• Molecular Weight: 451.50 g/mol
• Exact Mass: 451.20
• IUPAC Name: 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide
• SMILES: Cc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5COC5)c(F)c4)CC3)cc2[nH]c1=O
• InChI: InChI=1S/C24H26FN5O3/c1-15-8-21-22(28-23(15)31)9-16(11-26-21)12-29-4-6-30(7-5-29)18-2-3-19(20(25)10-18)24(32)27-17-13-33-14-17/h2-3,8-11,17H,4-7,12-14H2,1H3,(H,27,32)(H,28,31)
• InChIKey: YYFJSKJQYDEFKI-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.50
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide?

The IUPAC name of 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide (CID 166088852) is 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide.

What is the SMILES notation for 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide?

The canonical SMILES for 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide is Cc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5COC5)c(F)c4)CC3)cc2[nH]c1=O.

What is the InChIKey of 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide?

The InChIKey is YYFJSKJQYDEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-15-8-21-22(28-23(15)31)9-16(11-26-21)12-29-4-6-30(7-5-29)18-2-3-19(20(25)10-18)24(32)27-17-13-33-14-17/h2-3,8-11,17H,4-7,12-14H2,1H3,(H,27,32)(H,28,31).

What are the key properties of 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide?

2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide has a molecular weight of 451.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide is sourced from PubChem (CID 166088852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).