ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate

C17H17N3O2 — CID 137355753

IUPACethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2c(C)nc(C)cn12
InChIInChI=1S/C17H17N3O2/c1-4-22-17(21)15-14(13-8-6-5-7-9-13)19-16-12(3)18-11(2)10-20(15)16/h5-10H,4H2,1-3H3
InChIKeyMKLIFYXTRWZCRN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.19
Rot. Bonds3

About ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate

ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate (PubChem CID 137355753) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
PubChem CID137355753
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Nameethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2c(C)nc(C)cn12
InChIInChI=1S/C17H17N3O2/c1-4-22-17(21)15-14(13-8-6-5-7-9-13)19-16-12(3)18-11(2)10-20(15)16/h5-10H,4H2,1-3H3
InChIKeyMKLIFYXTRWZCRN-UHFFFAOYSA-N
XLogP3.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 137355339
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
CID 46929836
ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743340
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 86717925
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate (CID 137355753) is ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2c(C)nc(C)cn12.
What is the InChIKey of ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is MKLIFYXTRWZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-22-17(21)15-14(13-8-6-5-7-9-13)19-16-12(3)18-11(2)10-20(15)16/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate?
ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 137355753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).