4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide

C24H28FN5O2 — CID 166082585

About 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide

4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide (PubChem CID 166082585) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide
• PubChem CID: 166082585
• Molecular Formula: C24H28FN5O2
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.22
• IUPAC Name: 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide
• SMILES: CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(F)c4)C[C@@H]3C)cc2[nH]c1=O
• InChI: InChI=1S/C24H28FN5O2/c1-4-17-10-21-22(28-23(17)31)9-16(12-27-21)14-29-7-8-30(13-15(29)2)18-5-6-19(20(25)11-18)24(32)26-3/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,26,32)(H,28,31)/t15-/m0/s1
• InChIKey: YBRICGIXRULHEW-HNNXBMFYSA-N
• XLogP: 2.69
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide?

The IUPAC name of 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide (CID 166082585) is 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide.

What is the SMILES notation for 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide?

The canonical SMILES for 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(F)c4)C[C@@H]3C)cc2[nH]c1=O.

What is the InChIKey of 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide?

The InChIKey is YBRICGIXRULHEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-4-17-10-21-22(28-23(17)31)9-16(12-27-21)14-29-7-8-30(13-15(29)2)18-5-6-19(20(25)11-18)24(32)26-3/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,26,32)(H,28,31)/t15-/m0/s1.

What are the key properties of 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide?

4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 437.52 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 166082585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).