N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide

C14H17F3N4O2 — CID 166407904

IUPACN-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N4O2/c1-3-11(22)19(4-2)9-12(23)20-5-6-21-10(8-20)7-18-13(21)14(15,16)17/h3,7H,1,4-6,8-9H2,2H3
InChIKeyAEJPVVWBTATLKN-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.28
Rot. Bonds4

About N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide

N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide (PubChem CID 166407904) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide
PubChem CID166407904
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC NameN-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N4O2/c1-3-11(22)19(4-2)9-12(23)20-5-6-21-10(8-20)7-18-13(21)14(15,16)17/h3,7H,1,4-6,8-9H2,2H3
InChIKeyAEJPVVWBTATLKN-UHFFFAOYSA-N
XLogP1.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide (CID 166407904) is N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide is C=CC(=O)N(CC)CC(=O)N1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide?
The InChIKey is AEJPVVWBTATLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-3-11(22)19(4-2)9-12(23)20-5-6-21-10(8-20)7-18-13(21)14(15,16)17/h3,7H,1,4-6,8-9H2,2H3.
What are the key properties of N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide?
N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide has a molecular weight of 330.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 166407904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).