2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

C23H23F4N5O — CID 58178933

IUPAC2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(N)C(F)(F)F)C3)cc1
InChIInChI=1S/C23H23F4N5O/c1-14-3-9-17(10-4-14)29-20-19(15-5-7-16(24)8-6-15)30-18-13-31(11-12-32(18)20)21(33)22(2,28)23(25,26)27/h3-10,29H,11-13,28H2,1-2H3
InChIKeyGRHRVNMZMQYEQU-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.36
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one (PubChem CID 58178933) has the molecular formula C23H23F4N5O and a molecular weight of 461.46 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
PubChem CID58178933
Molecular FormulaC23H23F4N5O
Molecular Weight461.46 g/mol
Exact Mass461.18
IUPAC Name2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(N)C(F)(F)F)C3)cc1
InChIInChI=1S/C23H23F4N5O/c1-14-3-9-17(10-4-14)29-20-19(15-5-7-16(24)8-6-15)30-18-13-31(11-12-32(18)20)21(33)22(2,28)23(25,26)27/h3-10,29H,11-13,28H2,1-2H3
InChIKeyGRHRVNMZMQYEQU-UHFFFAOYSA-N
XLogP4.36
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-2-methylpropan-1-one;sulfane
CID 158766923
(2S)-2-amino-3-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one;sulfane
CID 161433547
2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58179088
2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58179418
(2S)-2-amino-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;sulfane
CID 159452854
(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)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-4-methylpentan-1-one
CID 58179218
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-3-(4-methylphenyl)propan-1-one
CID 58179165
(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
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
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
(2S)-3-cyclohexyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one;sulfane
CID 160819159

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one (CID 58178933) is 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(N)C(F)(F)F)C3)cc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The InChIKey is GRHRVNMZMQYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O/c1-14-3-9-17(10-4-14)29-20-19(15-5-7-16(24)8-6-15)30-18-13-31(11-12-32(18)20)21(33)22(2,28)23(25,26)27/h3-10,29H,11-13,28H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one has a molecular weight of 461.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58178933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).