Nemtabrutinib
(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
Molecular Identity
Nemtabrutinib
(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID: 129045720
2D Structure
Properties
C25H23ClN4O4
Molecular Formula
478.90
Molecular Weight
g/mol
478.1408
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
681
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(OCC1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)COIsomeric SMILES
SMILES: C1C[C@H](OC[C@@H]1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)COSynonyms(20)
2095393-15-8ARQ 531nemtabrutinibARQ-531MK-1026JTZ51LIXN4ARQ531(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone(2-Chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methanone(2-Chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)methanone(2-chloro-4-phenoxyphenyl)-(4-(((3R,6S)-6-(hydroxymethyl)oxan-3-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)methanoneRefChem:165056BTK Inhibitor ARQ 531Bruton's Tyrosine Kinase Inhibitor ARQ 531880-144-6
Data from PubChem (NCBI)
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