4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

C27H15Cl3F3N5O2 — CID 127042274

IUPAC4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4cc(Cl)cc(Cl)c4)nccn23)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C27H15Cl3F3N5O2/c28-17-8-16(9-18(29)12-17)26(40)37-23-24-35-13-22(38(24)7-6-34-23)14-2-1-3-19(10-14)36-25(39)15-4-5-21(30)20(11-15)27(31,32)33/h1-13H,(H,36,39)(H,34,37,40)
InChIKeyZZSMAQLIEZGUAP-UHFFFAOYSA-N
MW604.80 g/mol
LogP7.88
Rot. Bonds5

About 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127042274) has the molecular formula C27H15Cl3F3N5O2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID127042274
Molecular FormulaC27H15Cl3F3N5O2
Molecular Weight604.80 g/mol
Exact Mass603.02
IUPAC Name4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4cc(Cl)cc(Cl)c4)nccn23)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C27H15Cl3F3N5O2/c28-17-8-16(9-18(29)12-17)26(40)37-23-24-35-13-22(38(24)7-6-34-23)14-2-1-3-19(10-14)36-25(39)15-4-5-21(30)20(11-15)27(31,32)33/h1-13H,(H,36,39)(H,34,37,40)
InChIKeyZZSMAQLIEZGUAP-UHFFFAOYSA-N
XLogP7.88
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)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 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 127042274) is 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2cnc3c(NC(=O)c4cc(Cl)cc(Cl)c4)nccn23)c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZZSMAQLIEZGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15Cl3F3N5O2/c28-17-8-16(9-18(29)12-17)26(40)37-23-24-35-13-22(38(24)7-6-34-23)14-2-1-3-19(10-14)36-25(39)15-4-5-21(30)20(11-15)27(31,32)33/h1-13H,(H,36,39)(H,34,37,40).
What are the key properties of 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 604.80 g/mol, XLogP of 7.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[8-[(3,5-dichlorobenzoyl)amino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127042274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).