N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C26H24F7N5O3 — CID 175348800

About N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 175348800) has the molecular formula C26H24F7N5O3 and a molecular weight of 587.50 g/mol. Its IUPAC name is N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 175348800
• Molecular Formula: C26H24F7N5O3
• Molecular Weight: 587.50 g/mol
• Exact Mass: 587.18
• IUPAC Name: N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)NC(F)(C(F)F)C2CC2)cn3-c2c(F)cc(F)cc2F)C(CO)C1
• InChI: InChI=1S/C26H24F7N5O3/c1-36-4-5-37(14(9-36)11-39)23-19(30)8-15-21(40)16(24(41)35-26(33,25(31)32)12-2-3-12)10-38(22(15)34-23)20-17(28)6-13(27)7-18(20)29/h6-8,10,12,14,25,39H,2-5,9,11H2,1H3,(H,35,41)
• InChIKey: OFJYAYQVMLVCOI-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 90.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.50
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 175348800) is N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)NC(F)(C(F)F)C2CC2)cn3-c2c(F)cc(F)cc2F)C(CO)C1.

What is the InChIKey of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is OFJYAYQVMLVCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F7N5O3/c1-36-4-5-37(14(9-36)11-39)23-19(30)8-15-21(40)16(24(41)35-26(33,25(31)32)12-2-3-12)10-38(22(15)34-23)20-17(28)6-13(27)7-18(20)29/h6-8,10,12,14,25,39H,2-5,9,11H2,1H3,(H,35,41).

What are the key properties of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 587.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175348800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).