ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate

C17H19F2N3O2 — CID 169263973

IUPACethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccncc2nc1N1CCCC(F)(F)CC1
InChIInChI=1S/C17H19F2N3O2/c1-2-24-16(23)13-10-12-4-7-20-11-14(12)21-15(13)22-8-3-5-17(18,19)6-9-22/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyFSBBRCXWXBVCGT-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.43
Rot. Bonds3

About ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate

ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate (PubChem CID 169263973) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate
PubChem CID169263973
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Nameethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccncc2nc1N1CCCC(F)(F)CC1
InChIInChI=1S/C17H19F2N3O2/c1-2-24-16(23)13-10-12-4-7-20-11-14(12)21-15(13)22-8-3-5-17(18,19)6-9-22/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyFSBBRCXWXBVCGT-UHFFFAOYSA-N
XLogP3.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate 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

2-(4,4-difluoroazepan-1-yl)-6,7-dimethoxyquinoline-3-carboxylic acid
CID 169264563
ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
CID 107407274
2-(4,4-difluoroazepan-1-yl)-7-fluoro-3-prop-1-en-2-ylquinoline
CID 170368069
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 5-[(2R)-1-amino-1-oxopropan-2-yl]-2-[2-(4,4-difluoroazepan-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250883
methyl 3-(4,4-difluoroazepan-1-yl)quinoxaline-2-carboxylate
CID 169264265
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
benzyl 2-(4,4-difluoroazepan-1-yl)-4-methylquinoline-3-carboxylate
CID 169264201
2-(4,4-difluoroazepan-1-yl)-N-(3-methylsulfanylphenyl)quinoline-3-carboxamide
CID 169264444
2-(4,4-difluoroazepan-1-yl)-N-(3-methylsulfonylphenyl)quinoline-3-carboxamide
CID 169263976
2-(4,4-difluoroazepan-1-yl)-7-methoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 169264344
ethyl 5-amino-2-(4-hydroxy-4-methylazepan-1-yl)benzoate
CID 107407268

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate (CID 169263973) is ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccncc2nc1N1CCCC(F)(F)CC1.
What is the InChIKey of ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate?
The InChIKey is FSBBRCXWXBVCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-2-24-16(23)13-10-12-4-7-20-11-14(12)21-15(13)22-8-3-5-17(18,19)6-9-22/h4,7,10-11H,2-3,5-6,8-9H2,1H3.
What are the key properties of ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate?
ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate has a molecular weight of 335.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 169263973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).