5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

C22H26FN7O2 — CID 171812238

About 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 171812238) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
• PubChem CID: 171812238
• Molecular Formula: C22H26FN7O2
• Molecular Weight: 439.50 g/mol
• Exact Mass: 439.21
• IUPAC Name: 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
• SMILES: CCc1c(N)c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O
• InChI: InChI=1S/C22H26FN7O2/c1-3-14-18(24)19-16(28-21(14)31)10-13(11-26-19)12-29-6-8-30(9-7-29)17-5-4-15(22(32)25-2)27-20(17)23/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,25,32)(H3,24,28,31)
• InChIKey: FSORDDCNUXLARL-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 120.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.50
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	3
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 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 171812238) is 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CCc1c(N)c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O.

What is the InChIKey of 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?

The InChIKey is FSORDDCNUXLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-3-14-18(24)19-16(28-21(14)31)10-13(11-26-19)12-29-6-8-30(9-7-29)17-5-4-15(22(32)25-2)27-20(17)23/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,25,32)(H3,24,28,31).

What are the key properties of 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?

5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171812238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).