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

C20H19ClFN5O — CID 53387401

IUPAC2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1CCn2c(nc(-c3ccc(Cl)cc3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H19ClFN5O/c21-14-3-1-13(2-4-14)19-20(24-16-7-5-15(22)6-8-16)27-10-9-26(18(28)11-23)12-17(27)25-19/h1-8,24H,9-12,23H2
InChIKeyMNRGBQRWXKQHQW-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.39
Rot. Bonds4

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

2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 53387401) has the molecular formula C20H19ClFN5O and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID53387401
Molecular FormulaC20H19ClFN5O
Molecular Weight399.86 g/mol
Exact Mass399.13
IUPAC Name2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1CCn2c(nc(-c3ccc(Cl)cc3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H19ClFN5O/c21-14-3-1-13(2-4-14)19-20(24-16-7-5-15(22)6-8-16)27-10-9-26(18(28)11-23)12-17(27)25-19/h1-8,24H,9-12,23H2
InChIKeyMNRGBQRWXKQHQW-UHFFFAOYSA-N
XLogP3.39
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58179168
1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-methylphenyl)propan-1-one
CID 123861705
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
1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 123553952
(2S)-2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3,3-dimethylbutan-1-one
CID 58179102
(2S)-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-3-methylbutan-1-one;sulfane
CID 159727852
(2R)-2-amino-3,3,3-trifluoro-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58178877
(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-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one
CID 58178772
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
[(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
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 53387401) is 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is NCC(=O)N1CCn2c(nc(-c3ccc(Cl)cc3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is MNRGBQRWXKQHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O/c21-14-3-1-13(2-4-14)19-20(24-16-7-5-15(22)6-8-16)27-10-9-26(18(28)11-23)12-17(27)25-19/h1-8,24H,9-12,23H2.
What are the key properties of 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 399.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 53387401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).