N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C25H19F6N5O3 — CID 135354986

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354986) has the molecular formula C25H19F6N5O3 and a molecular weight of 551.45 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135354986
• Molecular Formula: C25H19F6N5O3
• Molecular Weight: 551.45 g/mol
• Exact Mass: 551.14
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC4(CC4)NC3=O)ccc2c1=O
• InChI: InChI=1S/C25H19F6N5O3/c26-12-7-15(27)18(16(28)8-12)35-9-14(22(38)33-20(11-1-2-11)25(29,30)31)19(37)13-3-4-17(32-21(13)35)36-10-24(5-6-24)34-23(36)39/h3-4,7-9,11,20H,1-2,5-6,10H2,(H,33,38)(H,34,39)
• InChIKey: BPSKKHPYTUSWJE-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.45
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 135354986) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC4(CC4)NC3=O)ccc2c1=O.

What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is BPSKKHPYTUSWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F6N5O3/c26-12-7-15(27)18(16(28)8-12)35-9-14(22(38)33-20(11-1-2-11)25(29,30)31)19(37)13-3-4-17(32-21(13)35)36-10-24(5-6-24)34-23(36)39/h3-4,7-9,11,20H,1-2,5-6,10H2,(H,33,38)(H,34,39).

What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 551.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).