4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C8H9N3O2 — CID 136651683

IUPAC4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(O)c12
InChIInChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H,1-2H3,(H2,9,12,13)
InChIKeyPRGBOEWVCGDIKT-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.28
Rot. Bonds

About 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136651683) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136651683
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(O)c12
InChIInChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H,1-2H3,(H2,9,12,13)
InChIKeyPRGBOEWVCGDIKT-UHFFFAOYSA-N
XLogP0.28
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 136651683) is 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2[nH]c(=O)cc(O)c12.
What is the InChIKey of 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PRGBOEWVCGDIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H,1-2H3,(H2,9,12,13).
What are the key properties of 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 179.18 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136651683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).