methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate

C14H18N4O3 — CID 134789592

IUPACmethyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nc(C(C)(C)C)c2cnccn12
InChIInChI=1S/C14H18N4O3/c1-14(2,3)11-9-7-15-5-6-18(9)12(17-11)13(20)16-8-10(19)21-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyCYJHHZYKLWGVHE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.93
Rot. Bonds3

About methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate

methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate (PubChem CID 134789592) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate
PubChem CID134789592
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nc(C(C)(C)C)c2cnccn12
InChIInChI=1S/C14H18N4O3/c1-14(2,3)11-9-7-15-5-6-18(9)12(17-11)13(20)16-8-10(19)21-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyCYJHHZYKLWGVHE-UHFFFAOYSA-N
XLogP0.93
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate (CID 134789592) is methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1nc(C(C)(C)C)c2cnccn12.
What is the InChIKey of methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate?
The InChIKey is CYJHHZYKLWGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2,3)11-9-7-15-5-6-18(9)12(17-11)13(20)16-8-10(19)21-4/h5-7H,8H2,1-4H3,(H,16,20).
What are the key properties of methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate?
methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 134789592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).