Rocbrutinib
N-[5-[[6-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)-4-pyridinyl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-[(2S)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide
Molecular Identity
Rocbrutinib
N-[5-[[6-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)-4-pyridinyl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-[(2S)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide
PubChem CID: 139416847
2D Structure
Properties
C42H51N9O5
Molecular Formula
761.90
Molecular Weight
g/mol
761.4013
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
148
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
1560
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rocbrutinib2485861-07-0KD68L3GRW2RefChem:1098148rocbrutinib [INN]orb1943502CHEMBL5314539SCHEMBL21275352SCHEMBL29463602GTPL12875DA-77517SY394072HY-156640CS-0886785H40286
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rocbrutinib
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