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

C27H24F2N4O2 — CID 58179260

IUPAC2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C27H24F2N4O2/c1-17-2-12-22(13-3-17)30-26-24(18-4-8-20(28)9-5-18)31-23-16-32(14-15-33(23)26)27(35)25(34)19-6-10-21(29)11-7-19/h2-13,25,30,34H,14-16H2,1H3
InChIKeyJDECWMZRQONBLM-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.96
Rot. Bonds5

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

2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone (PubChem CID 58179260) has the molecular formula C27H24F2N4O2 and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
PubChem CID58179260
Molecular FormulaC27H24F2N4O2
Molecular Weight474.51 g/mol
Exact Mass474.19
IUPAC Name2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C27H24F2N4O2/c1-17-2-12-22(13-3-17)30-26-24(18-4-8-20(28)9-5-18)31-23-16-32(14-15-33(23)26)27(35)25(34)19-6-10-21(29)11-7-19/h2-13,25,30,34H,14-16H2,1H3
InChIKeyJDECWMZRQONBLM-UHFFFAOYSA-N
XLogP4.96
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone (CID 58179260) is 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2ccc(F)cc2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
The InChIKey is JDECWMZRQONBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O2/c1-17-2-12-22(13-3-17)30-26-24(18-4-8-20(28)9-5-18)31-23-16-32(14-15-33(23)26)27(35)25(34)19-6-10-21(29)11-7-19/h2-13,25,30,34H,14-16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone has a molecular weight of 474.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone is sourced from PubChem (CID 58179260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).