1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione

C8H9N3O2 — CID 175964495

IUPAC1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione
SMILESCc1nn(C)c2c1C(=O)CC(=O)N2
InChIInChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H2,1-2H3,(H,9,13)
InChIKeyWPAUFGRVEJVFOY-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.25
Rot. Bonds

About 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione

1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione (PubChem CID 175964495) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione
PubChem CID175964495
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione
SMILESCc1nn(C)c2c1C(=O)CC(=O)N2
InChIInChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H2,1-2H3,(H,9,13)
InChIKeyWPAUFGRVEJVFOY-UHFFFAOYSA-N
XLogP0.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione?
The IUPAC name of 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione (CID 175964495) is 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione.
What is the SMILES notation for 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione?
The canonical SMILES for 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione is Cc1nn(C)c2c1C(=O)CC(=O)N2.
What is the InChIKey of 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione?
The InChIKey is WPAUFGRVEJVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H2,1-2H3,(H,9,13).
What are the key properties of 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione?
1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione has a molecular weight of 179.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione is sourced from PubChem (CID 175964495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).