2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

C20H20N4O2 — CID 18151370

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3cnc4c(c3)c(C)nn4C)c2cc1C
InChIInChI=1S/C20H20N4O2/c1-11-5-17-14(10-26-18(17)6-12(11)2)7-19(25)22-15-8-16-13(3)23-24(4)20(16)21-9-15/h5-6,8-10H,7H2,1-4H3,(H,22,25)
InChIKeyDGDKFURPAJWQGO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.82
Rot. Bonds3

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 18151370) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID18151370
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3cnc4c(c3)c(C)nn4C)c2cc1C
InChIInChI=1S/C20H20N4O2/c1-11-5-17-14(10-26-18(17)6-12(11)2)7-19(25)22-15-8-16-13(3)23-24(4)20(16)21-9-15/h5-6,8-10H,7H2,1-4H3,(H,22,25)
InChIKeyDGDKFURPAJWQGO-UHFFFAOYSA-N
XLogP3.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide 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-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 18151370) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is Cc1cc2occ(CC(=O)Nc3cnc4c(c3)c(C)nn4C)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is DGDKFURPAJWQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-11-5-17-14(10-26-18(17)6-12(11)2)7-19(25)22-15-8-16-13(3)23-24(4)20(16)21-9-15/h5-6,8-10H,7H2,1-4H3,(H,22,25).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 18151370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).