1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C26H26F5N5O — CID 58179314

IUPAC1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(C(F)(F)F)C1)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C26H26F5N5O/c27-19-5-3-17(4-6-19)24-25(32-21-9-7-20(28)8-10-21)36-13-12-35(15-22(36)33-24)23(37)16-34-11-1-2-18(14-34)26(29,30)31/h3-10,18,32H,1-2,11-16H2
InChIKeyHHXGYTMGOHKNCE-UHFFFAOYSA-N
MW519.52 g/mol
LogP5.19
Rot. Bonds5

About 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 58179314) has the molecular formula C26H26F5N5O and a molecular weight of 519.52 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID58179314
Molecular FormulaC26H26F5N5O
Molecular Weight519.52 g/mol
Exact Mass519.21
IUPAC Name1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(C(F)(F)F)C1)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C26H26F5N5O/c27-19-5-3-17(4-6-19)24-25(32-21-9-7-20(28)8-10-21)36-13-12-35(15-22(36)33-24)23(37)16-34-11-1-2-18(14-34)26(29,30)31/h3-10,18,32H,1-2,11-16H2
InChIKeyHHXGYTMGOHKNCE-UHFFFAOYSA-N
XLogP5.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 58179314) is 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC(C(F)(F)F)C1)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is HHXGYTMGOHKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F5N5O/c27-19-5-3-17(4-6-19)24-25(32-21-9-7-20(28)8-10-21)36-13-12-35(15-22(36)33-24)23(37)16-34-11-1-2-18(14-34)26(29,30)31/h3-10,18,32H,1-2,11-16H2.
What are the key properties of 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 519.52 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58179314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).