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

C11H15N3O — CID 652826

IUPAC4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1
InChIInChI=1S/C11H15N3O/c1-6(2)14-10-9(11(15)13-14)7(3)5-8(4)12-10/h5-6H,1-4H3,(H,13,15)
InChIKeyQOYUOAZWTCZDTG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds1

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

4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 652826) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID652826
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1
InChIInChI=1S/C11H15N3O/c1-6(2)14-10-9(11(15)13-14)7(3)5-8(4)12-10/h5-6H,1-4H3,(H,13,15)
InChIKeyQOYUOAZWTCZDTG-UHFFFAOYSA-N
XLogP1.92
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
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-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 652826) is 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1.
What is the InChIKey of 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is QOYUOAZWTCZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)14-10-9(11(15)13-14)7(3)5-8(4)12-10/h5-6H,1-4H3,(H,13,15).
What are the key properties of 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 652826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).