6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
Inhibitor information
- CovInDB Inhibitor
- CI004649
- Name
- 6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
- Molecular Formula
- C27H21N5O3
- Molecular Weight
- 463.16 g/mol
- Structure
-
- IUPAC Name
- 6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
- InChI
- InChI=1S/C27H21N5O3/c1-2-23(33)30-19-8-6-7-18(15-19)22-16-29-27-24(26(28)34)25(31-32(22)27)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20/h2-16,29H,1H2,(H2,28,34)(H,30,33)
- InChI Key
- BJAHNBYZHXLEFB-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1cccc(-c2c[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
463.16 g/mol
Computed by RDKit
- logP
-
4.1
Computed by ALOGPS
- logS
-
-4.92
Computed by ALOGPS
- Heavy Atom Count
-
35
Computed by RDKit
- Ring Count
-
5
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
3
Computed by RDKit
- Rotatable Bond Count
-
7
Computed by RDKit
- Topological Polar Surface Area
-
114.51 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.