1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one

C10H13N3O — CID 157463977

IUPAC1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)(C)n1ncc2c1N=CCC2=O
InChIInChI=1S/C10H13N3O/c1-10(2,3)13-9-7(6-12-13)8(14)4-5-11-9/h5-6H,4H2,1-3H3
InChIKeyQOYRZIARLUGXEU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.93
Rot. Bonds

About 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one

1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 157463977) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID157463977
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)(C)n1ncc2c1N=CCC2=O
InChIInChI=1S/C10H13N3O/c1-10(2,3)13-9-7(6-12-13)8(14)4-5-11-9/h5-6H,4H2,1-3H3
InChIKeyQOYRZIARLUGXEU-UHFFFAOYSA-N
XLogP1.93
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one (CID 157463977) is 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one is CC(C)(C)n1ncc2c1N=CCC2=O.
What is the InChIKey of 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is QOYRZIARLUGXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)13-9-7(6-12-13)8(14)4-5-11-9/h5-6H,4H2,1-3H3.
What are the key properties of 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one?
1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 157463977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).