4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one

C13H19N3O — CID 757651

IUPAC4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCCC(CC)n1[nH]c(=O)c2c(C)cc(C)nc21
InChIInChI=1S/C13H19N3O/c1-5-10(6-2)16-12-11(13(17)15-16)8(3)7-9(4)14-12/h7,10H,5-6H2,1-4H3,(H,15,17)
InChIKeyMVIDLIZTCYOEHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.70
Rot. Bonds3

About 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one

4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 757651) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID757651
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCCC(CC)n1[nH]c(=O)c2c(C)cc(C)nc21
InChIInChI=1S/C13H19N3O/c1-5-10(6-2)16-12-11(13(17)15-16)8(3)7-9(4)14-12/h7,10H,5-6H2,1-4H3,(H,15,17)
InChIKeyMVIDLIZTCYOEHW-UHFFFAOYSA-N
XLogP2.70
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 757651) is 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one is CCC(CC)n1[nH]c(=O)c2c(C)cc(C)nc21.
What is the InChIKey of 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is MVIDLIZTCYOEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-10(6-2)16-12-11(13(17)15-16)8(3)7-9(4)14-12/h7,10H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 757651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).