2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

C21H22N4O2 — CID 24516255

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)coc2c1C
InChIInChI=1S/C21H22N4O2/c1-12(2)25-21-15(9-23-25)7-17(10-22-21)24-19(26)8-16-11-27-20-14(4)13(3)5-6-18(16)20/h5-7,9-12H,8H2,1-4H3,(H,24,26)
InChIKeyIJBOHQLMKPNKAB-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.56
Rot. Bonds4

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 24516255) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID24516255
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)coc2c1C
InChIInChI=1S/C21H22N4O2/c1-12(2)25-21-15(9-23-25)7-17(10-22-21)24-19(26)8-16-11-27-20-14(4)13(3)5-6-18(16)20/h5-7,9-12H,8H2,1-4H3,(H,24,26)
InChIKeyIJBOHQLMKPNKAB-UHFFFAOYSA-N
XLogP4.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide with MolForge

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Related Compounds

2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 112761443
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 41466802
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-4-ylsulfanylacetamide
CID 25349115
1-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040136
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 24516255) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1ccc2c(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is IJBOHQLMKPNKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12(2)25-21-15(9-23-25)7-17(10-22-21)24-19(26)8-16-11-27-20-14(4)13(3)5-6-18(16)20/h5-7,9-12H,8H2,1-4H3,(H,24,26).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 24516255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).