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

C15H18BrN5O — CID 170973315

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)OCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C15H18BrN5O/c1-10(2)22-9-13-8-21-7-12(18-14(21)5-17-13)4-11-6-20(3)19-15(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyYBWDTJMMNKBYGF-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.74
Rot. Bonds5

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

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine (PubChem CID 170973315) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine
PubChem CID170973315
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)OCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C15H18BrN5O/c1-10(2)22-9-13-8-21-7-12(18-14(21)5-17-13)4-11-6-20(3)19-15(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyYBWDTJMMNKBYGF-UHFFFAOYSA-N
XLogP2.74
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine (CID 170973315) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine is CC(C)OCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine?
The InChIKey is YBWDTJMMNKBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-10(2)22-9-13-8-21-7-12(18-14(21)5-17-13)4-11-6-20(3)19-15(11)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine has a molecular weight of 364.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).