Peficitinib
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Molecular Identity
Peficitinib
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID: 57928403
2D Structure
Properties
C18H22N4O2
Molecular Formula
326.40
Molecular Weight
g/mol
326.1743
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
525
Complexity
SMILES
Canonical SMILES
SMILES: C1C2CC3CC(C2)(CC1C3NC4=C5C=CNC5=NC=C4C(=O)N)OIsomeric SMILES
SMILES: C1[C@@H]2CC3(C[C@@H](C2NC4=C5C=CNC5=NC=C4C(=O)N)CC1C3)OSynonyms(20)
Peficitinib944118-01-8ASP015KASP-015KPeficitinib free baseJNJ-54781532HPH1166CKX944118-01-8 (free base)4-(((1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamideCHEMBL5424861PeficitinibASP015K,JNJ-547815324-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamideanti-4-((5-Hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide944134-74-1
Data from PubChem (NCBI)
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Trials and conditions connected to Peficitinib
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