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

C13H12BrN5O2 — CID 170973323

IUPACmethyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C13H12BrN5O2/c1-18-5-8(12(14)17-18)3-9-6-19-7-10(13(20)21-2)15-4-11(19)16-9/h4-7H,3H2,1-2H3
InChIKeyBGYPNONSOMVTBY-UHFFFAOYSA-N
MW350.18 g/mol
LogP1.60
Rot. Bonds3

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

methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 170973323) has the molecular formula C13H12BrN5O2 and a molecular weight of 350.18 g/mol. Its IUPAC name is methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID170973323
Molecular FormulaC13H12BrN5O2
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC Namemethyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C13H12BrN5O2/c1-18-5-8(12(14)17-18)3-9-6-19-7-10(13(20)21-2)15-4-11(19)16-9/h4-7H,3H2,1-2H3
InChIKeyBGYPNONSOMVTBY-UHFFFAOYSA-N
XLogP1.60
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine
CID 170973337
methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate
CID 131542760
1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-N-methylmethanamine
CID 84702367
methyl 1-(4-bromobutyl)imidazole-4-carboxylate
CID 53310721
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
methyl 5-bromopyridine-2-carboxylate
CID 7016458
1-bromopropan-2-one;methyl 5-amino-6-bromopyrazine-2-carboxylate;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate
CID 159857435
methyl 5-bromo-6-(4-chlorophenyl)pyrazine-2-carboxylate
CID 86619571
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone
CID 84708367
2-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate (CID 170973323) is methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cn2cc(Cc3cn(C)nc3Br)nc2cn1.
What is the InChIKey of methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is BGYPNONSOMVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O2/c1-18-5-8(12(14)17-18)3-9-6-19-7-10(13(20)21-2)15-4-11(19)16-9/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate?
methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 350.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 170973323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).