[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane

C17H16FN3O3S — CID 177053029

IUPAC[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cc(F)cc(COc2ccnc3c(OC)nccc23)c1
InChIInChI=1S/C17H16FN3O3S/c1-23-17-16-14(3-5-21-17)15(4-6-20-16)24-10-11-7-12(18)9-13(8-11)25(2,19)22/h3-9,19H,10H2,1-2H3
InChIKeyOALIGOOOISAZKC-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.39
Rot. Bonds5

About [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane

[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 177053029) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID177053029
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cc(F)cc(COc2ccnc3c(OC)nccc23)c1
InChIInChI=1S/C17H16FN3O3S/c1-23-17-16-14(3-5-21-17)15(4-6-20-16)24-10-11-7-12(18)9-13(8-11)25(2,19)22/h3-9,19H,10H2,1-2H3
InChIKeyOALIGOOOISAZKC-UHFFFAOYSA-N
XLogP3.39
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane (CID 177053029) is [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cc(F)cc(COc2ccnc3c(OC)nccc23)c1.
What is the InChIKey of [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is OALIGOOOISAZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-23-17-16-14(3-5-21-17)15(4-6-20-16)24-10-11-7-12(18)9-13(8-11)25(2,19)22/h3-9,19H,10H2,1-2H3.
What are the key properties of [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 361.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 177053029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).