2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine

C15H18BrN5 — CID 170973321

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Cc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C15H18BrN5/c1-10(2)4-12-8-21-9-13(18-14(21)6-17-12)5-11-7-20(3)19-15(11)16/h6-10H,4-5H2,1-3H3
InChIKeyZBKOIQWJWRZBHP-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine (PubChem CID 170973321) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine
PubChem CID170973321
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Cc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C15H18BrN5/c1-10(2)4-12-8-21-9-13(18-14(21)6-17-12)5-11-7-20(3)19-15(11)16/h6-10H,4-5H2,1-3H3
InChIKeyZBKOIQWJWRZBHP-UHFFFAOYSA-N
XLogP3.01
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine 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 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine (CID 170973321) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine is CC(C)Cc1cn2cc(Cc3cn(C)nc3Br)nc2cn1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine?
The InChIKey is ZBKOIQWJWRZBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-10(2)4-12-8-21-9-13(18-14(21)6-17-12)5-11-7-20(3)19-15(11)16/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine has a molecular weight of 348.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).