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

C14H16BrN5O — CID 170973337

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine
SMILESCCOCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C14H16BrN5O/c1-3-21-9-12-8-20-7-11(17-13(20)5-16-12)4-10-6-19(2)18-14(10)15/h5-8H,3-4,9H2,1-2H3
InChIKeyYAVQSIVGPDOGEK-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.35
Rot. Bonds5

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

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine (PubChem CID 170973337) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine
PubChem CID170973337
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine
SMILESCCOCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C14H16BrN5O/c1-3-21-9-12-8-20-7-11(17-13(20)5-16-12)4-10-6-19(2)18-14(10)15/h5-8H,3-4,9H2,1-2H3
InChIKeyYAVQSIVGPDOGEK-UHFFFAOYSA-N
XLogP2.35
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 170973357
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine
CID 170973375
4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 139359017
(2S,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 149733231
(2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 153418475
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine
CID 170973288
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-propan-2-ylimidazo[1,2-a]pyrazine
CID 170973294
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-(cyclopropyloxymethyl)imidazo[1,2-a]pyrazine
CID 170973314
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-(propan-2-yloxymethyl)imidazo[1,2-a]pyrazine
CID 170973315
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6-(2-methylpropyl)imidazo[1,2-a]pyrazine
CID 170973321
Methyl 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-6-carboxylate
CID 170973323
2-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-6,8-dimethylimidazo[1,2-a]pyrazine
CID 170973325

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine (CID 170973337) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine is CCOCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine?
The InChIKey is YAVQSIVGPDOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-3-21-9-12-8-20-7-11(17-13(20)5-16-12)4-10-6-19(2)18-14(10)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine has a molecular weight of 350.22 g/mol, XLogP of 2.35, 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-(ethoxymethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).