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

C24H27FN4O2 — CID 58179128

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)CC(C)(C)O)C3)cc1
InChIInChI=1S/C24H27FN4O2/c1-16-4-10-19(11-5-16)26-23-22(17-6-8-18(25)9-7-17)27-20-15-28(12-13-29(20)23)21(30)14-24(2,3)31/h4-11,26,31H,12-15H2,1-3H3
InChIKeyQMMSLMZLSCOHQN-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.24
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one (PubChem CID 58179128) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one
PubChem CID58179128
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)CC(C)(C)O)C3)cc1
InChIInChI=1S/C24H27FN4O2/c1-16-4-10-19(11-5-16)26-23-22(17-6-8-18(25)9-7-17)27-20-15-28(12-13-29(20)23)21(30)14-24(2,3)31/h4-11,26,31H,12-15H2,1-3H3
InChIKeyQMMSLMZLSCOHQN-UHFFFAOYSA-N
XLogP4.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one (CID 58179128) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-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]-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)CC(C)(C)O)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]-3-hydroxy-3-methylbutan-1-one?
The InChIKey is QMMSLMZLSCOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-4-10-19(11-5-16)26-23-22(17-6-8-18(25)9-7-17)27-20-15-28(12-13-29(20)23)21(30)14-24(2,3)31/h4-11,26,31H,12-15H2,1-3H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one has a molecular weight of 422.50 g/mol, XLogP of 4.24, 5 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]-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 58179128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).