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

C27H16ClF5N6O2 — CID 127042258

IUPAC4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)nccn23)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C27H16ClF5N6O2/c28-19-6-4-15(11-18(19)27(31,32)33)25(40)38-23-24-35-13-22(39(24)9-8-34-23)14-2-1-3-17(10-14)36-26(41)37-21-7-5-16(29)12-20(21)30/h1-13H,(H,34,38,40)(H2,36,37,41)
InChIKeyZCLZKLBFQKQLQV-UHFFFAOYSA-N
MW586.91 g/mol
LogP7.24
Rot. Bonds5

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

4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide (PubChem CID 127042258) has the molecular formula C27H16ClF5N6O2 and a molecular weight of 586.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide
PubChem CID127042258
Molecular FormulaC27H16ClF5N6O2
Molecular Weight586.91 g/mol
Exact Mass586.09
IUPAC Name4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)nccn23)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C27H16ClF5N6O2/c28-19-6-4-15(11-18(19)27(31,32)33)25(40)38-23-24-35-13-22(39(24)9-8-34-23)14-2-1-3-17(10-14)36-26(41)37-21-7-5-16(29)12-20(21)30/h1-13H,(H,34,38,40)(H2,36,37,41)
InChIKeyZCLZKLBFQKQLQV-UHFFFAOYSA-N
XLogP7.24
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.91
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-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-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide (CID 127042258) is 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)nccn23)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZCLZKLBFQKQLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClF5N6O2/c28-19-6-4-15(11-18(19)27(31,32)33)25(40)38-23-24-35-13-22(39(24)9-8-34-23)14-2-1-3-17(10-14)36-26(41)37-21-7-5-16(29)12-20(21)30/h1-13H,(H,34,38,40)(H2,36,37,41).
What are the key properties of 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 586.91 g/mol, XLogP of 7.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127042258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).