Sitokiren
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methylpyrazolo[5,4-b]pyridin-1-yl]propyl]carbamate
Molecular Identity
Sitokiren
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methylpyrazolo[5,4-b]pyridin-1-yl]propyl]carbamate
PubChem CID: 117877477
2D Structure
Properties
C22H32N6O4
Molecular Formula
444.50
Molecular Weight
g/mol
444.2485
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
662
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(C=C1)C(=NN2CCCNC(=O)OC)C(C)N(C3CC3)C(=O)C4CNCCO4Isomeric SMILES
SMILES: CC1=NC2=C(C=C1)C(=NN2CCCNC(=O)OC)[C@@H](C)N(C3CC3)C(=O)[C@H]4CNCCO4Synonyms(20)
SPH3127sitokiren1399849-02-5SPH-3127C2M78A9V6ZCarbamic acid, N-(3-(3-((1R)-1-(cyclopropyl((2R)-2-morpholinylcarbonyl)amino)ethyl)-6-methyl-1H-pyrazolo(3,4-b)pyridin-1-yl)propyl)-, methyl esterCarbamic acid, N-[3-[3-[(1R)-1-[cyclopropyl[(2R)-2-morpholinylcarbonyl]amino]ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propyl]-, methyl esterRefChem:184617SitokireneSitokirenositokiren [INN]Xintuoan (China)orb1687426CHEMBL4110551SCHEMBL16471589
Data from PubChem (NCBI)
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