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

C15H16BrN5O — CID 170973314

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine
SMILESCn1cc(Cc2cn3cc(COC4CC4)ncc3n2)c(Br)n1
InChIInChI=1S/C15H16BrN5O/c1-20-6-10(15(16)19-20)4-11-7-21-8-12(9-22-13-2-3-13)17-5-14(21)18-11/h5-8,13H,2-4,9H2,1H3
InChIKeyMKXHSIZPTQGUJJ-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.50
Rot. Bonds5

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

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine (PubChem CID 170973314) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine
PubChem CID170973314
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine
SMILESCn1cc(Cc2cn3cc(COC4CC4)ncc3n2)c(Br)n1
InChIInChI=1S/C15H16BrN5O/c1-20-6-10(15(16)19-20)4-11-7-21-8-12(9-22-13-2-3-13)17-5-14(21)18-11/h5-8,13H,2-4,9H2,1H3
InChIKeyMKXHSIZPTQGUJJ-UHFFFAOYSA-N
XLogP2.50
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.50
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-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine (CID 170973314) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine is Cn1cc(Cc2cn3cc(COC4CC4)ncc3n2)c(Br)n1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine?
The InChIKey is MKXHSIZPTQGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-20-6-10(15(16)19-20)4-11-7-21-8-12(9-22-13-2-3-13)17-5-14(21)18-11/h5-8,13H,2-4,9H2,1H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine has a molecular weight of 362.23 g/mol, XLogP of 2.50, 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-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).