Orelabrutinib
2-(4-phenoxyphenyl)-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide
Molecular Identity
Orelabrutinib
2-(4-phenoxyphenyl)-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID: 91667513
2D Structure
Properties
C26H25N3O3
Molecular Formula
427.50
Molecular Weight
g/mol
427.1896
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
85.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
647
Complexity
SMILES
Canonical SMILES
SMILES: C=CC(=O)N1CCC(CC1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4Isomeric SMILES
SMILES: C=CC(=O)N1CCC(CC1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4Synonyms(20)
Orelabrutinib1655504-04-3ICP-022ICP022WJA5UO9E102-(4-phenoxyphenyl)-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide6-[1-(1-Oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)-3-pyridinecarboxamideINNOBRUKA3-Pyridinecarboxamide, 6-(1-(1-oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-6-(1-(1-Oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-3-pyridinecarboxamideRefChem:168449BTK Inhibitor ICP-022ICP 0226-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)nicotinamideOrelabrutinib [INN]
Data from PubChem (NCBI)
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Trials and conditions connected to Orelabrutinib
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