2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine

C13H14BrN5 — CID 170973325

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine
SMILESCc1cn2cc(Cc3cn(C)nc3Br)nc2c(C)n1
InChIInChI=1S/C13H14BrN5/c1-8-5-19-7-11(16-13(19)9(2)15-8)4-10-6-18(3)17-12(10)14/h5-7H,4H2,1-3H3
InChIKeyLCKGNVRLSZGXRV-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.43
Rot. Bonds2

About 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine (PubChem CID 170973325) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine
PubChem CID170973325
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine
SMILESCc1cn2cc(Cc3cn(C)nc3Br)nc2c(C)n1
InChIInChI=1S/C13H14BrN5/c1-8-5-19-7-11(16-13(19)9(2)15-8)4-10-6-18(3)17-12(10)14/h5-7H,4H2,1-3H3
InChIKeyLCKGNVRLSZGXRV-UHFFFAOYSA-N
XLogP2.43
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine (CID 170973325) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine is Cc1cn2cc(Cc3cn(C)nc3Br)nc2c(C)n1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine?
The InChIKey is LCKGNVRLSZGXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-8-5-19-7-11(16-13(19)9(2)15-8)4-10-6-18(3)17-12(10)14/h5-7H,4H2,1-3H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine has a molecular weight of 320.19 g/mol, XLogP of 2.43, 2 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]-6,8-dimethylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).