3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one

C13H17N3O — CID 136624133

IUPAC3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESC=CCn1nc(C)c2c(C(C)C)cc(=O)[nH]c21
InChIInChI=1S/C13H17N3O/c1-5-6-16-13-12(9(4)15-16)10(8(2)3)7-11(17)14-13/h5,7-8H,1,6H2,2-4H3,(H,14,17)
InChIKeyZVSDQNWWPJWZAB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.34
Rot. Bonds3

About 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136624133) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136624133
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESC=CCn1nc(C)c2c(C(C)C)cc(=O)[nH]c21
InChIInChI=1S/C13H17N3O/c1-5-6-16-13-12(9(4)15-16)10(8(2)3)7-11(17)14-13/h5,7-8H,1,6H2,2-4H3,(H,14,17)
InChIKeyZVSDQNWWPJWZAB-UHFFFAOYSA-N
XLogP2.34
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 136624133) is 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one is C=CCn1nc(C)c2c(C(C)C)cc(=O)[nH]c21.
What is the InChIKey of 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZVSDQNWWPJWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-6-16-13-12(9(4)15-16)10(8(2)3)7-11(17)14-13/h5,7-8H,1,6H2,2-4H3,(H,14,17).
What are the key properties of 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 231.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136624133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).