(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide

C14H15F3N4O2 — CID 95974335

IUPAC(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCN2C(=O)NC[C@H]2C1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)9-1-3-10(4-2-9)19-13(23)20-5-6-21-11(8-20)7-18-12(21)22/h1-4,11H,5-8H2,(H,18,22)(H,19,23)/t11-/m0/s1
InChIKeyFBWMPGMOYNMMBW-NSHDSACASA-N
MW328.29 g/mol
LogP1.95
Rot. Bonds1

About (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide

(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 95974335) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID95974335
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCN2C(=O)NC[C@H]2C1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)9-1-3-10(4-2-9)19-13(23)20-5-6-21-11(8-20)7-18-12(21)22/h1-4,11H,5-8H2,(H,18,22)(H,19,23)/t11-/m0/s1
InChIKeyFBWMPGMOYNMMBW-NSHDSACASA-N
XLogP1.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 99877427
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121153604
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121154515
(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99814639
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95147672

Frequently Asked Questions

What is the IUPAC name of (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 95974335) is (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN2C(=O)NC[C@H]2C1.
What is the InChIKey of (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is FBWMPGMOYNMMBW-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)9-1-3-10(4-2-9)19-13(23)20-5-6-21-11(8-20)7-18-12(21)22/h1-4,11H,5-8H2,(H,18,22)(H,19,23)/t11-/m0/s1.
What are the key properties of (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 95974335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).