Asciminib
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Molecular Identity
Asciminib
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID: 72165228
2D Structure
Properties
C20H18ClF2N5O3
Molecular Formula
449.80
Molecular Weight
g/mol
449.1066
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
626
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CC1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4Isomeric SMILES
SMILES: C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4Synonyms(20)
asciminib1492952-76-7ABL-001ABL001-NXNVP-ABL001L1F3R18W77N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-3-Pyridinecarboxamide, N-(4-(chlorodifluoromethoxy)phenyl)-6-((3R)-3-hydroxy-1-pyrrolidinyl)-5-(1H-pyrazol-3-yl)-asciminibumN-(4-(chloro(difluoro)methoxy)phenyl)-6-((3R)-3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamideRefChem:58302N-(4-(chlorodifluoromethoxy)phenyl)-6-((3R)-3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamideABL001Asciminib free base
Data from PubChem (NCBI)
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