[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C31H23N3O5 — CID 23737363

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)c3cc4ccccc4o3)c3c(C)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C31H23N3O5/c1-19-29-24(31(36)38-18-26(35)28-16-21-8-6-7-11-27(21)39-28)17-25(20-12-14-23(37-2)15-13-20)32-30(29)34(33-19)22-9-4-3-5-10-22/h3-17H,18H2,1-2H3
InChIKeyQZBMHDSTYFXSDL-UHFFFAOYSA-N
MW517.54 g/mol
LogP6.19
Rot. Bonds7

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 23737363) has the molecular formula C31H23N3O5 and a molecular weight of 517.54 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID23737363
Molecular FormulaC31H23N3O5
Molecular Weight517.54 g/mol
Exact Mass517.16
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)c3cc4ccccc4o3)c3c(C)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C31H23N3O5/c1-19-29-24(31(36)38-18-26(35)28-16-21-8-6-7-11-27(21)39-28)17-25(20-12-14-23(37-2)15-13-20)32-30(29)34(33-19)22-9-4-3-5-10-22/h3-17H,18H2,1-2H3
InChIKeyQZBMHDSTYFXSDL-UHFFFAOYSA-N
XLogP6.19
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23879160
[2-oxo-2-(4-phenylphenyl)ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23937902
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2096325
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 5193723
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861643
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2487436
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 5009984
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[8-chloro-4-(4-ethoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]methyl 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 166345300

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 23737363) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)c3cc4ccccc4o3)c3c(C)nn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is QZBMHDSTYFXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O5/c1-19-29-24(31(36)38-18-26(35)28-16-21-8-6-7-11-27(21)39-28)17-25(20-12-14-23(37-2)15-13-20)32-30(29)34(33-19)22-9-4-3-5-10-22/h3-17H,18H2,1-2H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 517.54 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 23737363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).