methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate

C15H14N4O2 — CID 166387384

IUPACmethyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate
SMILESCOC(=O)c1ccc(CCn2cnc3nccnc32)cc1
InChIInChI=1S/C15H14N4O2/c1-21-15(20)12-4-2-11(3-5-12)6-9-19-10-18-13-14(19)17-8-7-16-13/h2-5,7-8,10H,6,9H2,1H3
InChIKeyFFFQHOCOHCHYKI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.86
Rot. Bonds4

About methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate

methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate (PubChem CID 166387384) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate
PubChem CID166387384
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate
SMILESCOC(=O)c1ccc(CCn2cnc3nccnc32)cc1
InChIInChI=1S/C15H14N4O2/c1-21-15(20)12-4-2-11(3-5-12)6-9-19-10-18-13-14(19)17-8-7-16-13/h2-5,7-8,10H,6,9H2,1H3
InChIKeyFFFQHOCOHCHYKI-UHFFFAOYSA-N
XLogP1.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 4-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoate
CID 61224361
methyl 5-amino-1-[2-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544587
3-(4-methoxycarbonylphenyl)propanoic acid
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methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733
methyl 4-[(2,6-diaminopurin-9-yl)methyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate?
The IUPAC name of methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate (CID 166387384) is methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate.
What is the SMILES notation for methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate?
The canonical SMILES for methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate is COC(=O)c1ccc(CCn2cnc3nccnc32)cc1.
What is the InChIKey of methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate?
The InChIKey is FFFQHOCOHCHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-15(20)12-4-2-11(3-5-12)6-9-19-10-18-13-14(19)17-8-7-16-13/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate?
methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate has a molecular weight of 282.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-imidazo[4,5-b]pyrazin-3-ylethyl)benzoate is sourced from PubChem (CID 166387384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).