1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one

C11H14BrN3O — CID 141420776

IUPAC1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCC(C)C(C)n1ccc2c(cnn2Br)c1=O
InChIInChI=1S/C11H14BrN3O/c1-7(2)8(3)14-5-4-10-9(11(14)16)6-13-15(10)12/h4-8H,1-3H3
InChIKeyAFRNZKUKUHFVKK-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.57
Rot. Bonds2

About 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one

1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 141420776) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID141420776
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCC(C)C(C)n1ccc2c(cnn2Br)c1=O
InChIInChI=1S/C11H14BrN3O/c1-7(2)8(3)14-5-4-10-9(11(14)16)6-13-15(10)12/h4-8H,1-3H3
InChIKeyAFRNZKUKUHFVKK-UHFFFAOYSA-N
XLogP2.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one (CID 141420776) is 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one is CC(C)C(C)n1ccc2c(cnn2Br)c1=O.
What is the InChIKey of 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is AFRNZKUKUHFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7(2)8(3)14-5-4-10-9(11(14)16)6-13-15(10)12/h4-8H,1-3H3.
What are the key properties of 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one?
1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 284.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(3-methylbutan-2-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 141420776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).