Defosbarasertib
2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
Molecular Identity
Defosbarasertib
2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
PubChem CID: 16007391
AZD-1152 is a member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. It has a role as an antineoplastic agent and an Aurora kinase inhibitor. It is an anilide, a secondary carboxamide, a primary alcohol, a member of pyrazoles, a member of quinazolines, a secondary amino compound, a tertiary amino compound and a member of monofluorobenzenes.
2D Structure
Properties
C26H30FN7O3
Molecular Formula
507.60
Molecular Weight
g/mol
507.2394
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
9
H-Bond Acceptors
693
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOIsomeric SMILES
SMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOSynonyms(20)
722544-51-6AZD1152-HQPAbarasertib-hQPAAZD-1152HQPAdefosbarasertibINH-34AZD-1152 hqpa2-(5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)-N-(3-fluorophenyl)acetamide2-(3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamideAZD2811AZD-281129P8LWS24N2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamideAZD 28112-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Defosbarasertib
Loading drug network...