methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate

C15H14N4O3 — CID 24815753

IUPACmethyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]c(=O)n([C@@H](C)c3ccccc3)c2n1
InChIInChI=1S/C15H14N4O3/c1-9(10-6-4-3-5-7-10)19-13-12(18-15(19)21)16-8-11(17-13)14(20)22-2/h3-9H,1-2H3,(H,16,18,21)/t9-/m0/s1
InChIKeyWIDYWXVZKVHDEZ-VIFPVBQESA-N
MW298.30 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate

methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate (PubChem CID 24815753) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate
PubChem CID24815753
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]c(=O)n([C@@H](C)c3ccccc3)c2n1
InChIInChI=1S/C15H14N4O3/c1-9(10-6-4-3-5-7-10)19-13-12(18-15(19)21)16-8-11(17-13)14(20)22-2/h3-9H,1-2H3,(H,16,18,21)/t9-/m0/s1
InChIKeyWIDYWXVZKVHDEZ-VIFPVBQESA-N
XLogP1.52
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate?
The IUPAC name of methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate (CID 24815753) is methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate?
The canonical SMILES for methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate is COC(=O)c1cnc2[nH]c(=O)n([C@@H](C)c3ccccc3)c2n1.
What is the InChIKey of methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate?
The InChIKey is WIDYWXVZKVHDEZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9(10-6-4-3-5-7-10)19-13-12(18-15(19)21)16-8-11(17-13)14(20)22-2/h3-9H,1-2H3,(H,16,18,21)/t9-/m0/s1.
What are the key properties of methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate?
methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate is sourced from PubChem (CID 24815753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).