4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one

C10H12BrN3O — CID 134512205

IUPAC4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)n1cc2c(Br)cn(C)c(=O)c2n1
InChIInChI=1S/C10H12BrN3O/c1-6(2)14-4-7-8(11)5-13(3)10(15)9(7)12-14/h4-6H,1-3H3
InChIKeyAMBNRTSXKYYPIJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.08
Rot. Bonds1

About 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one

4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one (PubChem CID 134512205) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
PubChem CID134512205
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)n1cc2c(Br)cn(C)c(=O)c2n1
InChIInChI=1S/C10H12BrN3O/c1-6(2)14-4-7-8(11)5-13(3)10(15)9(7)12-14/h4-6H,1-3H3
InChIKeyAMBNRTSXKYYPIJ-UHFFFAOYSA-N
XLogP2.08
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one (CID 134512205) is 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one is CC(C)n1cc2c(Br)cn(C)c(=O)c2n1.
What is the InChIKey of 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
The InChIKey is AMBNRTSXKYYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6(2)14-4-7-8(11)5-13(3)10(15)9(7)12-14/h4-6H,1-3H3.
What are the key properties of 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one has a molecular weight of 270.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 134512205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).