2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C20H16F3N5O — CID 123161214

IUPAC2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1C=Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H16F3N5O/c21-13-3-1-12(2-4-13)19-20(25-14-5-6-15(22)16(23)9-14)28-8-7-27(18(29)10-24)11-17(28)26-19/h1-9,25H,10-11,24H2
InChIKeyLYCAXDXOCQBRMH-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.44
Rot. Bonds4

About 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 123161214) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID123161214
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1C=Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H16F3N5O/c21-13-3-1-12(2-4-13)19-20(25-14-5-6-15(22)16(23)9-14)28-8-7-27(18(29)10-24)11-17(28)26-19/h1-9,25H,10-11,24H2
InChIKeyLYCAXDXOCQBRMH-UHFFFAOYSA-N
XLogP3.44
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 90192006
2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
CID 123620693
2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 53387401
1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 123553952
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrimidin-4-ylethanone
CID 123211296
2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
CID 123181084
2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
CID 57495913
2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone
CID 123895133
[(2S)-azetidin-2-yl]-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 66888629
(2S)-2-amino-3-(3,4-difluorophenyl)-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58179319
(2S)-2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 58178969
1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-phenylpropan-1-one
CID 58179426

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 123161214) is 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone is NCC(=O)N1C=Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is LYCAXDXOCQBRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-13-3-1-12(2-4-13)19-20(25-14-5-6-15(22)16(23)9-14)28-8-7-27(18(29)10-24)11-17(28)26-19/h1-9,25H,10-11,24H2.
What are the key properties of 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 399.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 123161214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).