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

C24H23ClF2N4O — CID 58178914

IUPAC[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C24H23ClF2N4O/c25-19-10-9-18(13-20(19)27)28-23-22(15-5-7-17(26)8-6-15)29-21-14-30(11-12-31(21)23)24(32)16-3-1-2-4-16/h5-10,13,16,28H,1-4,11-12,14H2
InChIKeyJTONWVSSTUVVHE-UHFFFAOYSA-N
MW456.92 g/mol
LogP5.76
Rot. Bonds4

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

[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone (PubChem CID 58178914) has the molecular formula C24H23ClF2N4O and a molecular weight of 456.92 g/mol. Its IUPAC name is [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone
PubChem CID58178914
Molecular FormulaC24H23ClF2N4O
Molecular Weight456.92 g/mol
Exact Mass456.15
IUPAC Name[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C24H23ClF2N4O/c25-19-10-9-18(13-20(19)27)28-23-22(15-5-7-17(26)8-6-15)29-21-14-30(11-12-31(21)23)24(32)16-3-1-2-4-16/h5-10,13,16,28H,1-4,11-12,14H2
InChIKeyJTONWVSSTUVVHE-UHFFFAOYSA-N
XLogP5.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.92
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2,2-dimethylbutan-1-one
CID 58179051
[(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-1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methylbutan-1-one
CID 57495867
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
N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
CID 123912007
1-[3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 123553952
2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 53387401
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
(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
(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
(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
2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone
CID 58178799

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone?
The IUPAC name of [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone (CID 58178914) is [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone?
The canonical SMILES for [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone?
The InChIKey is JTONWVSSTUVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4O/c25-19-10-9-18(13-20(19)27)28-23-22(15-5-7-17(26)8-6-15)29-21-14-30(11-12-31(21)23)24(32)16-3-1-2-4-16/h5-10,13,16,28H,1-4,11-12,14H2.
What are the key properties of [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone?
[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone has a molecular weight of 456.92 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-cyclopentylmethanone is sourced from PubChem (CID 58178914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).