1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one

C10H13N3O — CID 137086389

IUPAC1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)(C)n1ncc2c(=O)cc[nH]c21
InChIInChI=1S/C10H13N3O/c1-10(2,3)13-9-7(6-12-13)8(14)4-5-11-9/h4-6H,1-3H3,(H,11,14)
InChIKeyZTVQWTWHJXGISV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.48
Rot. Bonds

About 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one

1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137086389) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137086389
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)(C)n1ncc2c(=O)cc[nH]c21
InChIInChI=1S/C10H13N3O/c1-10(2,3)13-9-7(6-12-13)8(14)4-5-11-9/h4-6H,1-3H3,(H,11,14)
InChIKeyZTVQWTWHJXGISV-UHFFFAOYSA-N
XLogP1.48
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-1H,4H,7H-pyrazolo(3,4-b)pyridin-4-one
CID 135426862
1-(5-Amino-1-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 11412428
1-(3-amino-1-isopropyl-1H-pyrazol-4-yl)ethanone
CID 51034229
1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135741602
2-methyl-6-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-4-one
CID 172416549
1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 155025254
6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 156793360
1-(5-Amino-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597164
1-[5-Amino-1-(2-methylpropyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 121597268
1-(5-Amino-1-ethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597372
1-(5-Amino-1-tert-butylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597734
1-Methyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137067855

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137086389) is 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one is CC(C)(C)n1ncc2c(=O)cc[nH]c21.
What is the InChIKey of 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ZTVQWTWHJXGISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)13-9-7(6-12-13)8(14)4-5-11-9/h4-6H,1-3H3,(H,11,14).
What are the key properties of 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).