tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C16H23F3N4O3 — CID 76849821

IUPACtert-butyl 1-morpholin-4-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(N3CCOCC3)c2C1
InChIInChI=1S/C16H23F3N4O3/c1-15(2,3)26-14(24)22-4-5-23-11(10-22)12(20-13(23)16(17,18)19)21-6-8-25-9-7-21/h4-10H2,1-3H3
InChIKeyYHOHLTKULIDMBL-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 76849821) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID76849821
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC Nametert-butyl 1-morpholin-4-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(N3CCOCC3)c2C1
InChIInChI=1S/C16H23F3N4O3/c1-15(2,3)26-14(24)22-4-5-23-11(10-22)12(20-13(23)16(17,18)19)21-6-8-25-9-7-21/h4-10H2,1-3H3
InChIKeyYHOHLTKULIDMBL-UHFFFAOYSA-N
XLogP2.49
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 76849821) is tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-morpholin-4-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(N3CCOCC3)c2C1.
What is the InChIKey of tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is YHOHLTKULIDMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3/c1-15(2,3)26-14(24)22-4-5-23-11(10-22)12(20-13(23)16(17,18)19)21-6-8-25-9-7-21/h4-10H2,1-3H3.
What are the key properties of tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-morpholin-4-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 76849821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).