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

C30H31FN4O — CID 58179165

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CC(C)C(=O)N2CCn3c(nc(-c4ccc(F)cc4)c3Nc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C30H31FN4O/c1-20-4-8-23(9-5-20)18-22(3)30(36)34-16-17-35-27(19-34)33-28(24-10-12-25(31)13-11-24)29(35)32-26-14-6-21(2)7-15-26/h4-15,22,32H,16-19H2,1-3H3
InChIKeyMGEOJAJBDFZVDV-UHFFFAOYSA-N
MW482.60 g/mol
LogP6.27
Rot. Bonds6

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

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one (PubChem CID 58179165) has the molecular formula C30H31FN4O and a molecular weight of 482.60 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-methyl-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one
PubChem CID58179165
Molecular FormulaC30H31FN4O
Molecular Weight482.60 g/mol
Exact Mass482.25
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CC(C)C(=O)N2CCn3c(nc(-c4ccc(F)cc4)c3Nc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C30H31FN4O/c1-20-4-8-23(9-5-20)18-22(3)30(36)34-16-17-35-27(19-34)33-28(24-10-12-25(31)13-11-24)29(35)32-26-14-6-21(2)7-15-26/h4-15,22,32H,16-19H2,1-3H3
InChIKeyMGEOJAJBDFZVDV-UHFFFAOYSA-N
XLogP6.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one 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-methyl-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one (CID 58179165) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one.
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-methyl-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one is Cc1ccc(CC(C)C(=O)N2CCn3c(nc(-c4ccc(F)cc4)c3Nc3ccc(C)cc3)C2)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-methyl-3-(4-methylphenyl)propan-1-one?
The InChIKey is MGEOJAJBDFZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O/c1-20-4-8-23(9-5-20)18-22(3)30(36)34-16-17-35-27(19-34)33-28(24-10-12-25(31)13-11-24)29(35)32-26-14-6-21(2)7-15-26/h4-15,22,32H,16-19H2,1-3H3.
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-methyl-3-(4-methylphenyl)propan-1-one?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one has a molecular weight of 482.60 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-methyl-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 58179165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).