N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide

C24H20F6N4O4 — CID 139431725

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 139431725) has the molecular formula C24H20F6N4O4 and a molecular weight of 542.44 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 139431725
• Molecular Formula: C24H20F6N4O4
• Molecular Weight: 542.44 g/mol
• Exact Mass: 542.14
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cccc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O
• InChI: InChI=1S/C24H20F6N4O4/c25-13-2-1-3-14(26)18(13)34-7-12(23(38)31-20(10-4-5-10)24(28,29)30)19(37)11-6-15(27)22(32-21(11)34)33-8-16(35)17(36)9-33/h1-3,6-7,10,16-17,20,35-36H,4-5,8-9H2,(H,31,38)/t16-,17-,20?/m1/s1
• InChIKey: WXSHFGCREFIMBN-LGJCEAAXSA-N
• XLogP: 2.42
• TPSA: 107.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.44
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide (CID 139431725) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cccc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O.

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

The InChIKey is WXSHFGCREFIMBN-LGJCEAAXSA-N. The full InChI is InChI=1S/C24H20F6N4O4/c25-13-2-1-3-14(26)18(13)34-7-12(23(38)31-20(10-4-5-10)24(28,29)30)19(37)11-6-15(27)22(32-21(11)34)33-8-16(35)17(36)9-33/h1-3,6-7,10,16-17,20,35-36H,4-5,8-9H2,(H,31,38)/t16-,17-,20?/m1/s1.

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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 542.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 139431725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).