4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

C26H27FN4O5 — CID 24768021

IUPAC4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCOCC1(C)Cc2c(Oc3ccc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3ccn(C)n3)cc2O1
InChIInChI=1S/C26H27FN4O5/c1-26(15-34-3)14-19-21(35-17-5-6-18(20(27)13-17)25(33)31-8-4-9-31)11-16(12-22(19)36-26)24(32)28-23-7-10-30(2)29-23/h5-7,10-13H,4,8-9,14-15H2,1-3H3,(H,28,29,32)
InChIKeyABKQXZMAUFDTSZ-UHFFFAOYSA-N
MW494.52 g/mol
LogP3.79
Rot. Bonds7

About 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (PubChem CID 24768021) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
PubChem CID24768021
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCOCC1(C)Cc2c(Oc3ccc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3ccn(C)n3)cc2O1
InChIInChI=1S/C26H27FN4O5/c1-26(15-34-3)14-19-21(35-17-5-6-18(20(27)13-17)25(33)31-8-4-9-31)11-16(12-22(19)36-26)24(32)28-23-7-10-30(2)29-23/h5-7,10-13H,4,8-9,14-15H2,1-3H3,(H,28,29,32)
InChIKeyABKQXZMAUFDTSZ-UHFFFAOYSA-N
XLogP3.79
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide 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-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (CID 24768021) is 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is COCC1(C)Cc2c(Oc3ccc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3ccn(C)n3)cc2O1.
What is the InChIKey of 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The InChIKey is ABKQXZMAUFDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-26(15-34-3)14-19-21(35-17-5-6-18(20(27)13-17)25(33)31-8-4-9-31)11-16(12-22(19)36-26)24(32)28-23-7-10-30(2)29-23/h5-7,10-13H,4,8-9,14-15H2,1-3H3,(H,28,29,32).
What are the key properties of 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(methoxymethyl)-2-methyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 24768021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).