Azd-4573
cis-(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
Molecular Identity
Azd-4573
cis-(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID: 124155204
AZD4573 is a potent and highly selective CDK9 inhibitor (IC50 of less than 4 nM) that enables transient target engagement for the treatment of hematologic malignancies.
2D Structure
Properties
C22H28ClN5O2
Molecular Formula
429.90
Molecular Weight
g/mol
429.1932
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
88.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
659
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC1CCCC(C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)ClIsomeric SMILES
SMILES: CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)ClSynonyms(20)
AZD4573AZD-4573zemirciclib(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamideUNII-E5XSP3X68Bcompound 24 [PMID: 33306391]compound 24 (PMID: 33306391)(1S,3R)-3-(Acetylamino)-N-(5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo(1,2-b)pyrazol-3-yl)-2-pyridinyl)cyclohexanecarboxamide(1S,3R)-3-(Acetylamino)-N-[5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexanecarboxamide(1S,3R)-3-acetamido-N-(5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo(1,2-b)pyrazol-3-yl)pyridin-2-yl)cyclohexane-1-carboxamideRefChem:116001CDK9 Inhibitor AZD45732057509-72-3AZD 4573(1S,3R)-3-acetamido-N-(5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl)cyclohexane-1-carboxamide
Data from PubChem (NCBI)
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