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

C28H27FN4O2 — CID 58179393

IUPAC1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2cccc(C)c2)C3)cc1
InChIInChI=1S/C28H27FN4O2/c1-18-6-12-23(13-7-18)30-27-25(20-8-10-22(29)11-9-20)31-24-17-32(14-15-33(24)27)28(35)26(34)21-5-3-4-19(2)16-21/h3-13,16,26,30,34H,14-15,17H2,1-2H3
InChIKeyHOONNOUZDVQUML-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.13
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone (PubChem CID 58179393) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone
PubChem CID58179393
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2cccc(C)c2)C3)cc1
InChIInChI=1S/C28H27FN4O2/c1-18-6-12-23(13-7-18)30-27-25(20-8-10-22(29)11-9-20)31-24-17-32(14-15-33(24)27)28(35)26(34)21-5-3-4-19(2)16-21/h3-13,16,26,30,34H,14-15,17H2,1-2H3
InChIKeyHOONNOUZDVQUML-UHFFFAOYSA-N
XLogP5.13
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.13
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]-2-hydroxy-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone (CID 58179393) is 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(O)c2cccc(C)c2)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]-2-hydroxy-2-(3-methylphenyl)ethanone?
The InChIKey is HOONNOUZDVQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-18-6-12-23(13-7-18)30-27-25(20-8-10-22(29)11-9-20)31-24-17-32(14-15-33(24)27)28(35)26(34)21-5-3-4-19(2)16-21/h3-13,16,26,30,34H,14-15,17H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone?
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone has a molecular weight of 470.55 g/mol, XLogP of 5.13, 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]-2-hydroxy-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 58179393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).