[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C14H19F3N4O2 — CID 164635759

IUPAC[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C)C[C@@H](C(=O)N2CCn3c(cnc3C(F)(F)F)C2)O1
InChIInChI=1S/C14H19F3N4O2/c1-9-6-19(2)8-11(23-9)12(22)20-3-4-21-10(7-20)5-18-13(21)14(15,16)17/h5,9,11H,3-4,6-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyUTQZHKRXNPRAFW-ONGXEEELSA-N
MW332.33 g/mol
LogP0.96
Rot. Bonds1

About [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164635759) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID164635759
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C)C[C@@H](C(=O)N2CCn3c(cnc3C(F)(F)F)C2)O1
InChIInChI=1S/C14H19F3N4O2/c1-9-6-19(2)8-11(23-9)12(22)20-3-4-21-10(7-20)5-18-13(21)14(15,16)17/h5,9,11H,3-4,6-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyUTQZHKRXNPRAFW-ONGXEEELSA-N
XLogP0.96
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 164635759) is [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1CN(C)C[C@@H](C(=O)N2CCn3c(cnc3C(F)(F)F)C2)O1.
What is the InChIKey of [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is UTQZHKRXNPRAFW-ONGXEEELSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-9-6-19(2)8-11(23-9)12(22)20-3-4-21-10(7-20)5-18-13(21)14(15,16)17/h5,9,11H,3-4,6-8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 332.33 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164635759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).