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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Related Compounds

methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
CID 59153792
methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate
CID 70432942
1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
CID 134795389
2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)propan-2-ol
CID 84678748
3-methyl-1-(3-methylpentan-3-yl)imidazo[1,5-a]pyrazine
CID 170124066
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134791778
methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
CID 116975760
methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate
CID 116975761
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
CID 139320839
N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134789741

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).