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

C24H24F4N4O2 — CID 58178883

IUPAC4,4,4-trifluoro-1-[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)(O)C(F)(F)F)C3)cc1
InChIInChI=1S/C24H24F4N4O2/c1-15-3-9-18(10-4-15)29-22-21(16-5-7-17(25)8-6-16)30-19-14-31(11-12-32(19)22)20(33)13-23(2,34)24(26,27)28/h3-10,29,34H,11-14H2,1-2H3
InChIKeyYJNSPLLYQKROSS-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.79
Rot. Bonds5

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

4,4,4-trifluoro-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 58178883) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is 4,4,4-trifluoro-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 Name4,4,4-trifluoro-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 CID58178883
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC Name4,4,4-trifluoro-1-[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)(O)C(F)(F)F)C3)cc1
InChIInChI=1S/C24H24F4N4O2/c1-15-3-9-18(10-4-15)29-22-21(16-5-7-17(25)8-6-16)30-19-14-31(11-12-32(19)22)20(33)13-23(2,34)24(26,27)28/h3-10,29,34H,11-14H2,1-2H3
InChIKeyYJNSPLLYQKROSS-UHFFFAOYSA-N
XLogP4.79
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-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 4,4,4-trifluoro-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 58178883) is 4,4,4-trifluoro-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 4,4,4-trifluoro-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 4,4,4-trifluoro-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)(O)C(F)(F)F)C3)cc1.
What is the InChIKey of 4,4,4-trifluoro-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 YJNSPLLYQKROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-15-3-9-18(10-4-15)29-22-21(16-5-7-17(25)8-6-16)30-19-14-31(11-12-32(19)22)20(33)13-23(2,34)24(26,27)28/h3-10,29,34H,11-14H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one?
4,4,4-trifluoro-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 476.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-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 58178883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).