2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol

C17H17FN4O2 — CID 135179999

IUPAC2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol
SMILESCOc1cccc(-c2cc3cnc(N)cc3c(NCCO)n2)c1F
InChIInChI=1S/C17H17FN4O2/c1-24-14-4-2-3-11(16(14)18)13-7-10-9-21-15(19)8-12(10)17(22-13)20-5-6-23/h2-4,7-9,23H,5-6H2,1H3,(H2,19,21)(H,20,22)
InChIKeyIGDWIEDDKGRLCD-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.43
Rot. Bonds5

About 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol

2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol (PubChem CID 135179999) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol
PubChem CID135179999
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol
SMILESCOc1cccc(-c2cc3cnc(N)cc3c(NCCO)n2)c1F
InChIInChI=1S/C17H17FN4O2/c1-24-14-4-2-3-11(16(14)18)13-7-10-9-21-15(19)8-12(10)17(22-13)20-5-6-23/h2-4,7-9,23H,5-6H2,1H3,(H2,19,21)(H,20,22)
InChIKeyIGDWIEDDKGRLCD-UHFFFAOYSA-N
XLogP2.43
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol 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 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol?
The IUPAC name of 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol (CID 135179999) is 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol.
What is the SMILES notation for 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol?
The canonical SMILES for 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol is COc1cccc(-c2cc3cnc(N)cc3c(NCCO)n2)c1F.
What is the InChIKey of 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol?
The InChIKey is IGDWIEDDKGRLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-24-14-4-2-3-11(16(14)18)13-7-10-9-21-15(19)8-12(10)17(22-13)20-5-6-23/h2-4,7-9,23H,5-6H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol?
2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol has a molecular weight of 328.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol is sourced from PubChem (CID 135179999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).