Istisociclib
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
Molecular Identity
Istisociclib
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID: 146502834
2D Structure
Properties
C16H25N5
Molecular Formula
287.40
Molecular Weight
g/mol
287.2110
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
68.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
333
Complexity
SMILES
Canonical SMILES
SMILES: CCC(CC)C1=NC2=CC=NN2C(=C1)NC3CCC(C3)NIsomeric SMILES
SMILES: CCC(CC)C1=NC2=CC=NN2C(=C1)N[C@H]3CC[C@@H](C3)NSynonyms(20)
IstisociclibKB-07422416873-83-9KB0742F7J6KSY5I8UB-18422KB-130742KB-00130742(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine(1S,3S)-3-N-(5-pentan-3-ylpyrazolo(1,5-a)pyrimidin-7-yl)cyclopentane-1,3-diamineRefChem:1087874(1S,3S)-N1-(5-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamineCHEMBL5199065Istisociclib (USAN)ISTISOCICLIB [USAN]
Data from PubChem (NCBI)
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