2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one

C11H15N3O — CID 146322867

IUPAC2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one
SMILESCc1c(C(C)C)cnc2c(=O)n(C)[nH]c12
InChIInChI=1S/C11H15N3O/c1-6(2)8-5-12-10-9(7(8)3)13-14(4)11(10)15/h5-6,13H,1-4H3
InChIKeyJLYHBVSEDHNOCO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds1

About 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one

2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one (PubChem CID 146322867) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one.

Molecular Properties

Compound Name2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one
PubChem CID146322867
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one
SMILESCc1c(C(C)C)cnc2c(=O)n(C)[nH]c12
InChIInChI=1S/C11H15N3O/c1-6(2)8-5-12-10-9(7(8)3)13-14(4)11(10)15/h5-6,13H,1-4H3
InChIKeyJLYHBVSEDHNOCO-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one?
The IUPAC name of 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one (CID 146322867) is 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one.
What is the SMILES notation for 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one?
The canonical SMILES for 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one is Cc1c(C(C)C)cnc2c(=O)n(C)[nH]c12.
What is the InChIKey of 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one?
The InChIKey is JLYHBVSEDHNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)8-5-12-10-9(7(8)3)13-14(4)11(10)15/h5-6,13H,1-4H3.
What are the key properties of 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one?
2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one is sourced from PubChem (CID 146322867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).