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

C25H29FN4O2 — CID 58179279

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylpentan-1-one
SMILESCCC(C)(O)CC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(C)cc2)C1
InChIInChI=1S/C25H29FN4O2/c1-4-25(3,32)15-22(31)29-13-14-30-21(16-29)28-23(18-7-9-19(26)10-8-18)24(30)27-20-11-5-17(2)6-12-20/h5-12,27,32H,4,13-16H2,1-3H3
InChIKeyZEJKKRUYCWSUJK-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.63
Rot. Bonds6

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

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylpentan-1-one (PubChem CID 58179279) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 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-methylpentan-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-methylpentan-1-one
PubChem CID58179279
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylpentan-1-one
SMILESCCC(C)(O)CC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(C)cc2)C1
InChIInChI=1S/C25H29FN4O2/c1-4-25(3,32)15-22(31)29-13-14-30-21(16-29)28-23(18-7-9-19(26)10-8-18)24(30)27-20-11-5-17(2)6-12-20/h5-12,27,32H,4,13-16H2,1-3H3
InChIKeyZEJKKRUYCWSUJK-UHFFFAOYSA-N
XLogP4.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.63
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-methylpentan-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-methylpentan-1-one (CID 58179279) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylpentan-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-methylpentan-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-methylpentan-1-one is CCC(C)(O)CC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(C)cc2)C1.
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-methylpentan-1-one?
The InChIKey is ZEJKKRUYCWSUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-4-25(3,32)15-22(31)29-13-14-30-21(16-29)28-23(18-7-9-19(26)10-8-18)24(30)27-20-11-5-17(2)6-12-20/h5-12,27,32H,4,13-16H2,1-3H3.
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-methylpentan-1-one?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylpentan-1-one has a molecular weight of 436.53 g/mol, XLogP of 4.63, 6 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-methylpentan-1-one is sourced from PubChem (CID 58179279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).