Samuraciclib
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
Molecular Identity
Samuraciclib
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID: 91844733
2D Structure
Properties
C22H30N6O
Molecular Formula
394.50
Molecular Weight
g/mol
394.2481
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
86.5
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
500
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCC4CCNCC4OIsomeric SMILES
SMILES: CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4OSynonyms(20)
Samuraciclib1805833-75-3ICEC0942CT-7001PPDA-00146D4HS9ODASAMURACICLIB [INN]UNII-46D4HS9ODASAMURACICLIB [WHO-DD]CT 7001RefChem:181111CDK7 Inhibitor CT7001CT7001ICEC-0942ICEC0942 free base
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Samuraciclib
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