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

C27H22ClFN4O2 — CID 123181084

IUPAC2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)C(O)c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C27H22ClFN4O2/c1-17-2-12-22(13-3-17)30-26-24(18-6-10-21(29)11-7-18)31-23-16-32(14-15-33(23)26)27(35)25(34)19-4-8-20(28)9-5-19/h2-15,25,30,34H,16H2,1H3
InChIKeyKMLNOABAOQWOST-UHFFFAOYSA-N
MW488.95 g/mol
LogP5.90
Rot. Bonds5

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

2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone (PubChem CID 123181084) has the molecular formula C27H22ClFN4O2 and a molecular weight of 488.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
PubChem CID123181084
Molecular FormulaC27H22ClFN4O2
Molecular Weight488.95 g/mol
Exact Mass488.14
IUPAC Name2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)C(O)c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C27H22ClFN4O2/c1-17-2-12-22(13-3-17)30-26-24(18-6-10-21(29)11-7-18)31-23-16-32(14-15-33(23)26)27(35)25(34)19-4-8-20(28)9-5-19/h2-15,25,30,34H,16H2,1H3
InChIKeyKMLNOABAOQWOST-UHFFFAOYSA-N
XLogP5.90
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.95
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone (CID 123181084) is 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)C(O)c2ccc(Cl)cc2)C3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
The InChIKey is KMLNOABAOQWOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O2/c1-17-2-12-22(13-3-17)30-26-24(18-6-10-21(29)11-7-18)31-23-16-32(14-15-33(23)26)27(35)25(34)19-4-8-20(28)9-5-19/h2-15,25,30,34H,16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone?
2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone has a molecular weight of 488.95 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone is sourced from PubChem (CID 123181084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).