7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C22H21FN4O4 — CID 67275247

IUPAC7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccccc1Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4C[C@H]3CN4)nc21
InChIInChI=1S/C22H21FN4O4/c1-31-18-5-3-2-4-12(18)9-26-11-16(22(29)30)19(28)15-7-17(23)21(25-20(15)26)27-10-13-6-14(27)8-24-13/h2-5,7,11,13-14,24H,6,8-10H2,1H3,(H,29,30)/t13-,14-/m0/s1
InChIKeyKUVCVOGUEQPMEA-KBPBESRZSA-N
MW424.43 g/mol
LogP1.84
Rot. Bonds5

About 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67275247) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID67275247
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccccc1Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4C[C@H]3CN4)nc21
InChIInChI=1S/C22H21FN4O4/c1-31-18-5-3-2-4-12(18)9-26-11-16(22(29)30)19(28)15-7-17(23)21(25-20(15)26)27-10-13-6-14(27)8-24-13/h2-5,7,11,13-14,24H,6,8-10H2,1H3,(H,29,30)/t13-,14-/m0/s1
InChIKeyKUVCVOGUEQPMEA-KBPBESRZSA-N
XLogP1.84
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid 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

Bmy 40062
CID 163995
1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenyl)methylamino]-1,8-naphthyridine-3-carboxylic acid
CID 44193904
6-[(2,4-difluorophenyl)methylamino]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 44193907
6-[(4-fluorophenyl)methylamino]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 53316834
6-[(2-fluorophenyl)methylamino]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 53319494
6-[(4-fluorophenyl)methylamino]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 53326060
trans-7-[3-Amino-4-(2-methoxy-phenyl)-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-3,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
CID 14978092
7-(3-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxymethyl}-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
CID 9894891
7-((S)-3-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy}-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
CID 44355583
7-(4-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy}-piperidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
CID 44355586
6-[(3-fluorophenyl)methylamino]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 53326869
1-Tert-butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 488332

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 67275247) is 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is COc1ccccc1Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4C[C@H]3CN4)nc21.
What is the InChIKey of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KUVCVOGUEQPMEA-KBPBESRZSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-31-18-5-3-2-4-12(18)9-26-11-16(22(29)30)19(28)15-7-17(23)21(25-20(15)26)27-10-13-6-14(27)8-24-13/h2-5,7,11,13-14,24H,6,8-10H2,1H3,(H,29,30)/t13-,14-/m0/s1.
What are the key properties of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 424.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67275247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).