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

C34H32FN5O — CID 67266370

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(Nc2ccc(C)cc2)c2ccccc2)C3)cc1
InChIInChI=1S/C34H32FN5O/c1-23-8-16-28(17-9-23)36-32(25-6-4-3-5-7-25)34(41)39-20-21-40-30(22-39)38-31(26-12-14-27(35)15-13-26)33(40)37-29-18-10-24(2)11-19-29/h3-19,32,36-37H,20-22H2,1-2H3
InChIKeyZIHHVBJFVGQCSC-UHFFFAOYSA-N
MW545.66 g/mol
LogP7.25
Rot. Bonds7

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

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone (PubChem CID 67266370) has the molecular formula C34H32FN5O and a molecular weight of 545.66 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-(4-methylanilino)-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone
PubChem CID67266370
Molecular FormulaC34H32FN5O
Molecular Weight545.66 g/mol
Exact Mass545.26
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(Nc2ccc(C)cc2)c2ccccc2)C3)cc1
InChIInChI=1S/C34H32FN5O/c1-23-8-16-28(17-9-23)36-32(25-6-4-3-5-7-25)34(41)39-20-21-40-30(22-39)38-31(26-12-14-27(35)15-13-26)33(40)37-29-18-10-24(2)11-19-29/h3-19,32,36-37H,20-22H2,1-2H3
InChIKeyZIHHVBJFVGQCSC-UHFFFAOYSA-N
XLogP7.25
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.66
LogP ≤ 57.25
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-(4-methylanilino)-2-phenylethanone 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-(4-methylanilino)-2-phenylethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone (CID 67266370) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone.
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-(4-methylanilino)-2-phenylethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(Nc2ccc(C)cc2)c2ccccc2)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-(4-methylanilino)-2-phenylethanone?
The InChIKey is ZIHHVBJFVGQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O/c1-23-8-16-28(17-9-23)36-32(25-6-4-3-5-7-25)34(41)39-20-21-40-30(22-39)38-31(26-12-14-27(35)15-13-26)33(40)37-29-18-10-24(2)11-19-29/h3-19,32,36-37H,20-22H2,1-2H3.
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-(4-methylanilino)-2-phenylethanone?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone has a molecular weight of 545.66 g/mol, XLogP of 7.25, 7 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-(4-methylanilino)-2-phenylethanone is sourced from PubChem (CID 67266370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).