1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone

C28H24F4N4O2 — CID 58179236

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C28H24F4N4O2/c1-17-2-12-22(13-3-17)33-26-24(18-6-10-21(29)11-7-18)34-23-16-35(14-15-36(23)26)27(38)25(37)19-4-8-20(9-5-19)28(30,31)32/h2-13,25,33,37H,14-16H2,1H3
InChIKeyDNYXJLWSPSQKND-UHFFFAOYSA-N
MW524.52 g/mol
LogP5.84
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 58179236) has the molecular formula C28H24F4N4O2 and a molecular weight of 524.52 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID58179236
Molecular FormulaC28H24F4N4O2
Molecular Weight524.52 g/mol
Exact Mass524.18
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C28H24F4N4O2/c1-17-2-12-22(13-3-17)33-26-24(18-6-10-21(29)11-7-18)34-23-16-35(14-15-36(23)26)27(38)25(37)19-4-8-20(9-5-19)28(30,31)32/h2-13,25,33,37H,14-16H2,1H3
InChIKeyDNYXJLWSPSQKND-UHFFFAOYSA-N
XLogP5.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.52
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone (CID 58179236) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C3)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DNYXJLWSPSQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N4O2/c1-17-2-12-22(13-3-17)33-26-24(18-6-10-21(29)11-7-18)34-23-16-35(14-15-36(23)26)27(38)25(37)19-4-8-20(9-5-19)28(30,31)32/h2-13,25,33,37H,14-16H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 524.52 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 58179236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).