[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid

C16H14F2N3O4P — CID 177089359

IUPAC[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
SMILESCOc1cc2nccc(Nc3c(F)cc(CP(=O)(O)O)cc3F)c2cn1
InChIInChI=1S/C16H14F2N3O4P/c1-25-15-6-14-10(7-20-15)13(2-3-19-14)21-16-11(17)4-9(5-12(16)18)8-26(22,23)24/h2-7H,8H2,1H3,(H,19,21)(H2,22,23,24)
InChIKeySSMCPJLBDGMGBW-UHFFFAOYSA-N
MW381.28 g/mol
LogP3.34
Rot. Bonds5

About [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid

[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid (PubChem CID 177089359) has the molecular formula C16H14F2N3O4P and a molecular weight of 381.28 g/mol. Its IUPAC name is [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
PubChem CID177089359
Molecular FormulaC16H14F2N3O4P
Molecular Weight381.28 g/mol
Exact Mass381.07
IUPAC Name[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
SMILESCOc1cc2nccc(Nc3c(F)cc(CP(=O)(O)O)cc3F)c2cn1
InChIInChI=1S/C16H14F2N3O4P/c1-25-15-6-14-10(7-20-15)13(2-3-19-14)21-16-11(17)4-9(5-12(16)18)8-26(22,23)24/h2-7H,8H2,1H3,(H,19,21)(H2,22,23,24)
InChIKeySSMCPJLBDGMGBW-UHFFFAOYSA-N
XLogP3.34
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid 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 [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
The IUPAC name of [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid (CID 177089359) is [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid.
What is the SMILES notation for [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
The canonical SMILES for [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid is COc1cc2nccc(Nc3c(F)cc(CP(=O)(O)O)cc3F)c2cn1.
What is the InChIKey of [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
The InChIKey is SSMCPJLBDGMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N3O4P/c1-25-15-6-14-10(7-20-15)13(2-3-19-14)21-16-11(17)4-9(5-12(16)18)8-26(22,23)24/h2-7H,8H2,1H3,(H,19,21)(H2,22,23,24).
What are the key properties of [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid has a molecular weight of 381.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid is sourced from PubChem (CID 177089359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).