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

C25H23F5N4O4 — CID 153426324

IUPACN-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(F)(F)[C@@H](NC(=O)c1cn(-c2c(F)cccc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O)C1CC1
InChIInChI=1S/C25H23F5N4O4/c1-25(29,30)21(11-5-6-11)31-24(38)13-8-34(19-14(26)3-2-4-15(19)27)22-12(20(13)37)7-16(28)23(32-22)33-9-17(35)18(36)10-33/h2-4,7-8,11,17-18,21,35-36H,5-6,9-10H2,1H3,(H,31,38)/t17-,18-,21+/m1/s1
InChIKeyHYTNYGMLEUFDLV-OPYAIIAOSA-N
MW538.47 g/mol
LogP2.51
Rot. Bonds6

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

N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 153426324) has the molecular formula C25H23F5N4O4 and a molecular weight of 538.47 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID153426324
Molecular FormulaC25H23F5N4O4
Molecular Weight538.47 g/mol
Exact Mass538.16
IUPAC NameN-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(F)(F)[C@@H](NC(=O)c1cn(-c2c(F)cccc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O)C1CC1
InChIInChI=1S/C25H23F5N4O4/c1-25(29,30)21(11-5-6-11)31-24(38)13-8-34(19-14(26)3-2-4-15(19)27)22-12(20(13)37)7-16(28)23(32-22)33-9-17(35)18(36)10-33/h2-4,7-8,11,17-18,21,35-36H,5-6,9-10H2,1H3,(H,31,38)/t17-,18-,21+/m1/s1
InChIKeyHYTNYGMLEUFDLV-OPYAIIAOSA-N
XLogP2.51
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 139431736
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134360113
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 139431801
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360118
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 139431794
N-(1,1-difluoro-2-methylpropan-2-yl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346770
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 134360176
7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135354811
N-[(1R)-1-chloro-2,2,2-trifluoroethyl]-6-fluoro-7-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360016
1-(2-chloro-4,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 134360192
7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346783

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-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-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide (CID 153426324) is N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-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-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-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-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide is CC(F)(F)[C@@H](NC(=O)c1cn(-c2c(F)cccc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is HYTNYGMLEUFDLV-OPYAIIAOSA-N. The full InChI is InChI=1S/C25H23F5N4O4/c1-25(29,30)21(11-5-6-11)31-24(38)13-8-34(19-14(26)3-2-4-15(19)27)22-12(20(13)37)7-16(28)23(32-22)33-9-17(35)18(36)10-33/h2-4,7-8,11,17-18,21,35-36H,5-6,9-10H2,1H3,(H,31,38)/t17-,18-,21+/m1/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-1-(2,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-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 538.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2,2-difluoropropyl]-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 153426324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).