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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Related Compounds

4-bromo-6-(oxan-4-ylmethyl)-1H-pyrazolo[5,4-c]pyridin-7-one
CID 153255053
5-bromo-2-methyl-3-(2-methylpropyl)pyrimidin-4-one
CID 66309229
4,6-dibromo-7-methyl-1H-indazole
CID 164895348
5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 139266743
N-ethyl-N,6-dimethyl-7-oxo-1H-pyrazolo[5,4-c]pyridine-4-carboxamide
CID 139373694
8-bromo-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 13224548
4-bromo-2-methyl-1-(2-methylpropyl)imidazole
CID 130138605
4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 23459203
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127
3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one
CID 105453256

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).