4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine

C24H24FN5O2 — CID 155235326

IUPAC4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
SMILESCCOc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C24H24FN5O2/c1-4-31-23-10-16-18(21-9-14(2)29-30(21)3)12-28-24(19(16)13-26-23)27-11-17-15-7-8-32-22(15)6-5-20(17)25/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,27,28)
InChIKeyMXILMLDOSFJCLN-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.42
Rot. Bonds6

About 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine

4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine (PubChem CID 155235326) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
PubChem CID155235326
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
SMILESCCOc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C24H24FN5O2/c1-4-31-23-10-16-18(21-9-14(2)29-30(21)3)12-28-24(19(16)13-26-23)27-11-17-15-7-8-32-22(15)6-5-20(17)25/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,27,28)
InChIKeyMXILMLDOSFJCLN-UHFFFAOYSA-N
XLogP4.42
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine 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 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine (CID 155235326) is 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine is CCOc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
The InChIKey is MXILMLDOSFJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-4-31-23-10-16-18(21-9-14(2)29-30(21)3)12-28-24(19(16)13-26-23)27-11-17-15-7-8-32-22(15)6-5-20(17)25/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,27,28).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine has a molecular weight of 433.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-6-ethoxy-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 155235326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).