1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone

C25H21FN6O — CID 123211296

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)Cc2ccncn2)C3)cc1
InChIInChI=1S/C25H21FN6O/c1-17-2-8-20(9-3-17)29-25-24(18-4-6-19(26)7-5-18)30-22-15-31(12-13-32(22)25)23(33)14-21-10-11-27-16-28-21/h2-13,16,29H,14-15H2,1H3
InChIKeySAMFJMBHVCIVFD-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.54
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone (PubChem CID 123211296) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone
PubChem CID123211296
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)Cc2ccncn2)C3)cc1
InChIInChI=1S/C25H21FN6O/c1-17-2-8-20(9-3-17)29-25-24(18-4-6-19(26)7-5-18)30-22-15-31(12-13-32(22)25)23(33)14-21-10-11-27-16-28-21/h2-13,16,29H,14-15H2,1H3
InChIKeySAMFJMBHVCIVFD-UHFFFAOYSA-N
XLogP4.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone (CID 123211296) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)Cc2ccncn2)C3)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone?
The InChIKey is SAMFJMBHVCIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-17-2-8-20(9-3-17)29-25-24(18-4-6-19(26)7-5-18)30-22-15-31(12-13-32(22)25)23(33)14-21-10-11-27-16-28-21/h2-13,16,29H,14-15H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone has a molecular weight of 440.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone is sourced from PubChem (CID 123211296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).