4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one

C10H12BrN3O — CID 151537525

IUPAC4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCC(C)Cn1cc(Br)c2cn[nH]c2c1=O
InChIInChI=1S/C10H12BrN3O/c1-6(2)4-14-5-8(11)7-3-12-13-9(7)10(14)15/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyPXTWGVHSLLYVEW-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.14
Rot. Bonds2

About 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one

4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 151537525) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID151537525
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCC(C)Cn1cc(Br)c2cn[nH]c2c1=O
InChIInChI=1S/C10H12BrN3O/c1-6(2)4-14-5-8(11)7-3-12-13-9(7)10(14)15/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyPXTWGVHSLLYVEW-UHFFFAOYSA-N
XLogP2.14
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one (CID 151537525) is 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one is CC(C)Cn1cc(Br)c2cn[nH]c2c1=O.
What is the InChIKey of 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is PXTWGVHSLLYVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6(2)4-14-5-8(11)7-3-12-13-9(7)10(14)15/h3,5-6H,4H2,1-2H3,(H,12,13).
What are the key properties of 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one?
4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 270.13 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 151537525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).