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

C14H16BrN5 — CID 170973294

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine
SMILESCC(C)c1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C14H16BrN5/c1-9(2)12-8-20-7-11(17-13(20)5-16-12)4-10-6-19(3)18-14(10)15/h5-9H,4H2,1-3H3
InChIKeyGSHSDCSRMDYECZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.94
Rot. Bonds3

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

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine (PubChem CID 170973294) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine
PubChem CID170973294
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine
SMILESCC(C)c1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C14H16BrN5/c1-9(2)12-8-20-7-11(17-13(20)5-16-12)4-10-6-19(3)18-14(10)15/h5-9H,4H2,1-3H3
InChIKeyGSHSDCSRMDYECZ-UHFFFAOYSA-N
XLogP2.94
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[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-propan-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine (CID 170973294) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine is CC(C)c1cn2cc(Cc3cn(C)nc3Br)nc2cn1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is GSHSDCSRMDYECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-9(2)12-8-20-7-11(17-13(20)5-16-12)4-10-6-19(3)18-14(10)15/h5-9H,4H2,1-3H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 334.22 g/mol, XLogP of 2.94, 3 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-propan-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).