N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C23H17F6N5O3 — CID 135354869

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354869) has the molecular formula C23H17F6N5O3 and a molecular weight of 525.41 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-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-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135354869
• Molecular Formula: C23H17F6N5O3
• Molecular Weight: 525.41 g/mol
• Exact Mass: 525.12
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-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(N3CCNC3=O)ccc2c1=O
• InChI: InChI=1S/C23H17F6N5O3/c24-11-7-14(25)17(15(26)8-11)34-9-13(21(36)32-19(10-1-2-10)23(27,28)29)18(35)12-3-4-16(31-20(12)34)33-6-5-30-22(33)37/h3-4,7-10,19H,1-2,5-6H2,(H,30,37)(H,32,36)
• InChIKey: UNLRMSQVPPWFAT-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.41
LogP ≤ 5	3.40
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-(2-oxoimidazolidin-1-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-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 135354869) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-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-(2-oxoimidazolidin-1-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-(2-oxoimidazolidin-1-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(N3CCNC3=O)ccc2c1=O.

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

The InChIKey is UNLRMSQVPPWFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5O3/c24-11-7-14(25)17(15(26)8-11)34-9-13(21(36)32-19(10-1-2-10)23(27,28)29)18(35)12-3-4-16(31-20(12)34)33-6-5-30-22(33)37/h3-4,7-10,19H,1-2,5-6H2,(H,30,37)(H,32,36).

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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 525.41 g/mol, XLogP of 3.40, 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-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).