Shr0302
(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
Molecular Identity
Shr0302
(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID: 71622431
2D Structure
Properties
C18H22N8O2S
Molecular Formula
414.50
Molecular Weight
g/mol
414.1586
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
140
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
600
Complexity
SMILES
Canonical SMILES
SMILES: CN(C1CC2CN(CC2C1)C(=O)NC3=NC(=NS3)OC)C4=NC=NC5=C4C=CN5Isomeric SMILES
SMILES: CN(C1C[C@@H]2CN(C[C@@H]2C1)C(=O)NC3=NC(=NS3)OC)C4=NC=NC5=C4C=CN5Synonyms(20)
SHR0302RefChem:931698Ivarmacitinib1445987-21-2UNII-K6K4B9Z5TVIvarmacitinib [USAN]SHR0302 baseIVARMACITINIB [INN]K6K4B9Z5TVSHR0302 FREE BASESHR-0302 FREE BASErel-(3aR,5s,6aS)-N-(3-Methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamideSCHEMBL15077710SHR-0302MFCD32701909
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Shr0302
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