N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

C24H19F3N4OS — CID 53389728

IUPACN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(SCC(F)(F)F)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C24H19F3N4OS/c25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)
InChIKeyFNTGXYXJURZQKV-UHFFFAOYSA-N
MW468.50 g/mol
LogP5.61
Rot. Bonds6

About N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389728) has the molecular formula C24H19F3N4OS and a molecular weight of 468.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389728
Molecular FormulaC24H19F3N4OS
Molecular Weight468.50 g/mol
Exact Mass468.12
IUPAC NameN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(SCC(F)(F)F)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C24H19F3N4OS/c25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)
InChIKeyFNTGXYXJURZQKV-UHFFFAOYSA-N
XLogP5.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide 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 N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389728) is N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(SCC(F)(F)F)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is FNTGXYXJURZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4OS/c25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32).
What are the key properties of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 468.50 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).