Brepocitinib
[(1S)-2,2-difluorocyclopropyl]-[(1R,5S)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Molecular Identity
Brepocitinib
[(1S)-2,2-difluorocyclopropyl]-[(1R,5S)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID: 118878093
2D Structure
Properties
C18H21F2N7O
Molecular Formula
389.40
Molecular Weight
g/mol
389.1776
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
79.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)C5CC5(F)FIsomeric SMILES
SMILES: CN1C=C(C=N1)NC2=NC=CC(=N2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)FSynonyms(20)
BrepocitinibPF-067008411883299-62-43X8387Q25NPF06700841[(1S)-2,2-difluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanoneMethanone, ((1S)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)-4-pyrimidinyl)-3,8-diazabicyclo(3.2.1)oct-8-yl)-((1S)-2,2-difluorocyclopropyl)-((1S,5R)-3-(2-((1-methylpyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo(3.2.1)octan-8-yl)methanoneRefChem:121326PF-841TYK2/JAK1 Inhibitor PF-06700841PF 067008414-((1R,5S)-8-((1S)-2,2-difluorocyclopropanecarbonyl)-3,8-diazabicyclo(3.2.1)octan-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-aminePF-06700841 free baseBrepocitinib [USAN]
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Brepocitinib
Loading drug network...