2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol

C23H24FN5O3 — CID 71558732

IUPAC2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol
SMILESCOc1cc(OC)c(F)c(N(CCO)c2ccc3ncc(-c4cn(C)nc4C)cc3n2)c1
InChIInChI=1S/C23H24FN5O3/c1-14-17(13-28(2)27-14)15-9-19-18(25-12-15)5-6-22(26-19)29(7-8-30)20-10-16(31-3)11-21(32-4)23(20)24/h5-6,9-13,30H,7-8H2,1-4H3
InChIKeyVAWHFCXPNILZIS-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.63
Rot. Bonds7

About 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol

2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol (PubChem CID 71558732) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol.

Molecular Properties

Compound Name2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol
PubChem CID71558732
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol
SMILESCOc1cc(OC)c(F)c(N(CCO)c2ccc3ncc(-c4cn(C)nc4C)cc3n2)c1
InChIInChI=1S/C23H24FN5O3/c1-14-17(13-28(2)27-14)15-9-19-18(25-12-15)5-6-22(26-19)29(7-8-30)20-10-16(31-3)11-21(32-4)23(20)24/h5-6,9-13,30H,7-8H2,1-4H3
InChIKeyVAWHFCXPNILZIS-UHFFFAOYSA-N
XLogP3.63
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)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-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol?
The IUPAC name of 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol (CID 71558732) is 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol.
What is the SMILES notation for 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol?
The canonical SMILES for 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol is COc1cc(OC)c(F)c(N(CCO)c2ccc3ncc(-c4cn(C)nc4C)cc3n2)c1.
What is the InChIKey of 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol?
The InChIKey is VAWHFCXPNILZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14-17(13-28(2)27-14)15-9-19-18(25-12-15)5-6-22(26-19)29(7-8-30)20-10-16(31-3)11-21(32-4)23(20)24/h5-6,9-13,30H,7-8H2,1-4H3.
What are the key properties of 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol?
2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol has a molecular weight of 437.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol is sourced from PubChem (CID 71558732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).