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

C17H23F3N4O3 — CID 141185800

IUPACtert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(N3CCCCC3=O)c2C1
InChIInChI=1S/C17H23F3N4O3/c1-16(2,3)27-15(26)22-8-9-23-11(10-22)13(21-14(23)17(18,19)20)24-7-5-4-6-12(24)25/h4-10H2,1-3H3
InChIKeyQQENKWXXWKQFIG-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.17
Rot. Bonds1

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

tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 141185800) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID141185800
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC Nametert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(N3CCCCC3=O)c2C1
InChIInChI=1S/C17H23F3N4O3/c1-16(2,3)27-15(26)22-8-9-23-11(10-22)13(21-14(23)17(18,19)20)24-7-5-4-6-12(24)25/h4-10H2,1-3H3
InChIKeyQQENKWXXWKQFIG-UHFFFAOYSA-N
XLogP3.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(acetylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849813
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(formylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849815
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-[[(dimethylamino)carbonyl]amino]-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849817
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-1-(4-morpholinyl)-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849821
tert-butyl 1-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141185784
tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141185788
tert-butyl 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141185794
1-[3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-2-one;hydrochloride
CID 141185815
1-[3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-2-one
CID 141185816
1-acetyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride
CID 141290532
tert-butyl 1-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141290540
tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 143807519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 141185800) is tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(N3CCCCC3=O)c2C1.
What is the InChIKey of tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is QQENKWXXWKQFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-16(2,3)27-15(26)22-8-9-23-11(10-22)13(21-14(23)17(18,19)20)24-7-5-4-6-12(24)25/h4-10H2,1-3H3.
What are the key properties of tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 388.39 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-oxopiperidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 141185800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).