Pelitinib
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Identity
Pelitinib
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
PubChem CID: 6445562
Pelitinib is a nitrile, a monocarboxylic acid amide, an aminoquinoline and a member of monochlorobenzenes. It has a role as a protein kinase inhibitor.
2D Structure
Properties
C24H23ClFN5O2
Molecular Formula
467.90
Molecular Weight
g/mol
467.1524
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
90.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
729
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)CIsomeric SMILES
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)CSynonyms(20)
Pelitinib257933-82-7EKB-569EKB 569WAY-EKB 569WAY-EKB-569X5DWL380Z6EKI 569(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamideCHEBI:38927NSC7297422-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-(2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamideDTXSID90870294pelitinibum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pelitinib
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