Ulixertinib
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
Molecular Identity
Ulixertinib
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
PubChem CID: 11719003
2D Structure
Properties
C21H22Cl2N4O2
Molecular Formula
433.30
Molecular Weight
g/mol
432.1120
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
90
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
539
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ulixertinib869886-67-9VRT752271BVD-523BVD-ERK16ZDH50O1UVRT-7522711H-Pyrrole-2-carboxamide, 4-(5-chloro-2-((1-methylethyl)amino)-4-pyridinyl)-N-((1S)-1-(3-chlorophenyl)-2-hydroxyethyl)-4-{5-chloro-2-[(propan-2-yl)amino]pyridin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamideulixertinibum4-(5-chloro-2-((propan-2-yl)amino)pyridin-4-yl)-N-((1S)-1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamideRefChem:192996Ulixertinib [INN]Ulixertinib (BVD-523)(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
Data from PubChem (NCBI)
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