methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C12H14BrN3O2 — CID 154814868

IUPACmethyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ncc(Br)cc12
InChIInChI=1S/C12H14BrN3O2/c1-7(2)6-16-11-9(4-8(13)5-14-11)10(15-16)12(17)18-3/h4-5,7H,6H2,1-3H3
InChIKeyLBRZTMCJANFOID-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.64
Rot. Bonds3

About methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate

methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 154814868) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID154814868
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Namemethyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ncc(Br)cc12
InChIInChI=1S/C12H14BrN3O2/c1-7(2)6-16-11-9(4-8(13)5-14-11)10(15-16)12(17)18-3/h4-5,7H,6H2,1-3H3
InChIKeyLBRZTMCJANFOID-UHFFFAOYSA-N
XLogP2.64
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 154814868) is methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1nn(CC(C)C)c2ncc(Br)cc12.
What is the InChIKey of methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is LBRZTMCJANFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7(2)6-16-11-9(4-8(13)5-14-11)10(15-16)12(17)18-3/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 312.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 154814868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).