(3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one

C17H16BrF5N4O — CID 10183464

IUPAC(3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1cc(F)c(Br)cc1F
InChIInChI=1S/C17H16BrF5N4O/c18-11-6-12(19)9(4-13(11)20)3-10(24)5-16(28)27-2-1-26-7-14(17(21,22)23)25-15(26)8-27/h4,6-7,10H,1-3,5,8,24H2/t10-/m1/s1
InChIKeySYFUTCPSDQNKKZ-SNVBAGLBSA-N
MW467.24 g/mol
LogP3.24
Rot. Bonds4

About (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one

(3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (PubChem CID 10183464) has the molecular formula C17H16BrF5N4O and a molecular weight of 467.24 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
PubChem CID10183464
Molecular FormulaC17H16BrF5N4O
Molecular Weight467.24 g/mol
Exact Mass466.04
IUPAC Name(3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1cc(F)c(Br)cc1F
InChIInChI=1S/C17H16BrF5N4O/c18-11-6-12(19)9(4-13(11)20)3-10(24)5-16(28)27-2-1-26-7-14(17(21,22)23)25-15(26)8-27/h4,6-7,10H,1-3,5,8,24H2/t10-/m1/s1
InChIKeySYFUTCPSDQNKKZ-SNVBAGLBSA-N
XLogP3.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (CID 10183464) is (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1cc(F)c(Br)cc1F.
What is the InChIKey of (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The InChIKey is SYFUTCPSDQNKKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16BrF5N4O/c18-11-6-12(19)9(4-13(11)20)3-10(24)5-16(28)27-2-1-26-7-14(17(21,22)23)25-15(26)8-27/h4,6-7,10H,1-3,5,8,24H2/t10-/m1/s1.
What are the key properties of (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
(3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one has a molecular weight of 467.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 10183464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).