tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C15H21F3N4O3 — CID 157300836

IUPACtert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(=O)CNc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H21F3N4O3/c1-9(23)7-19-11-10-8-21(13(24)25-14(2,3)4)5-6-22(10)12(20-11)15(16,17)18/h19H,5-8H2,1-4H3
InChIKeyUVVOYUAHFKKIOA-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 157300836) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID157300836
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Nametert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(=O)CNc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H21F3N4O3/c1-9(23)7-19-11-10-8-21(13(24)25-14(2,3)4)5-6-22(10)12(20-11)15(16,17)18/h19H,5-8H2,1-4H3
InChIKeyUVVOYUAHFKKIOA-UHFFFAOYSA-N
XLogP2.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141185784
tert-butyl 3-bromo-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 58417733
tert-butyl 3-alumanyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 162586824
tert-butyl 3-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69158608
tert-butyl 4-chloro-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 71742291
tert-butyl 1-(2-oxopropyl)-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 90162705
1-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-chloroethanone
CID 154879593
tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 138635797
1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 174593418
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
CID 91231763
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 141185797

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 157300836) is tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(=O)CNc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is UVVOYUAHFKKIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-9(23)7-19-11-10-8-21(13(24)25-14(2,3)4)5-6-22(10)12(20-11)15(16,17)18/h19H,5-8H2,1-4H3.
What are the key properties of tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 362.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 157300836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).