methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate

C14H16N4O4 — CID 166379028

IUPACmethyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate
SMILESCOC(=O)C1COC(CNC(=O)c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C14H16N4O4/c1-21-14(20)8-4-9(22-7-8)5-17-13(19)11-6-16-12-10(18-11)2-3-15-12/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)(H,17,19)
InChIKeyQXXVXMXZDCGLRC-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.27
Rot. Bonds4

About methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate

methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate (PubChem CID 166379028) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate
PubChem CID166379028
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Namemethyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate
SMILESCOC(=O)C1COC(CNC(=O)c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C14H16N4O4/c1-21-14(20)8-4-9(22-7-8)5-17-13(19)11-6-16-12-10(18-11)2-3-15-12/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)(H,17,19)
InChIKeyQXXVXMXZDCGLRC-UHFFFAOYSA-N
XLogP0.27
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate?
The IUPAC name of methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate (CID 166379028) is methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate.
What is the SMILES notation for methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate?
The canonical SMILES for methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate is COC(=O)C1COC(CNC(=O)c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate?
The InChIKey is QXXVXMXZDCGLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-21-14(20)8-4-9(22-7-8)5-17-13(19)11-6-16-12-10(18-11)2-3-15-12/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)(H,17,19).
What are the key properties of methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate?
methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate is sourced from PubChem (CID 166379028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).