methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate

C11H11N3O2 — CID 170501045

IUPACmethyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate
SMILESCOC(=O)CC=Cc1cnc2cnccn12
InChIInChI=1S/C11H11N3O2/c1-16-11(15)4-2-3-9-7-13-10-8-12-5-6-14(9)10/h2-3,5-8H,4H2,1H3
InChIKeyMDDRCQPKZIQPPP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.31
Rot. Bonds3

About methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate

methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate (PubChem CID 170501045) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate.

Molecular Properties

Compound Namemethyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate
PubChem CID170501045
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate
SMILESCOC(=O)CC=Cc1cnc2cnccn12
InChIInChI=1S/C11H11N3O2/c1-16-11(15)4-2-3-9-7-13-10-8-12-5-6-14(9)10/h2-3,5-8H,4H2,1H3
InChIKeyMDDRCQPKZIQPPP-UHFFFAOYSA-N
XLogP1.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide
CID 170488830
3-imidazo[1,2-a]pyrazin-3-ylprop-2-en-1-amine
CID 169463701
4-imidazo[1,2-a]pyrazin-3-ylbut-3-en-1-amine
CID 170487096
methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
CID 170500325
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 4-(5-methyl-2-pyridinyl)but-3-enoate
CID 170500370
methyl 4-(3-amino-2-pyridinyl)but-3-enoate
CID 170500334
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349
methyl 4-isoquinolin-5-ylbut-3-enoate
CID 170501081
methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
CID 66273457
imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617

Frequently Asked Questions

What is the IUPAC name of methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate?
The IUPAC name of methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate (CID 170501045) is methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate.
What is the SMILES notation for methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate?
The canonical SMILES for methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate is COC(=O)CC=Cc1cnc2cnccn12.
What is the InChIKey of methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate?
The InChIKey is MDDRCQPKZIQPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)4-2-3-9-7-13-10-8-12-5-6-14(9)10/h2-3,5-8H,4H2,1H3.
What are the key properties of methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate?
methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate has a molecular weight of 217.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate is sourced from PubChem (CID 170501045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).