Elenestinib
2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol
Molecular Identity
Elenestinib
2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol
PubChem CID: 155190269
2D Structure
Properties
C27H29FN10O
Molecular Formula
528.60
Molecular Weight
g/mol
528.2510
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
789
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)CCO)NIsomeric SMILES
SMILES: C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)CCO)NSynonyms(20)
Elenestinib2505078-08-8BLU-2636FBM4CP6RKBlu263exampl4 4 [WO2020210293A1]2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol1H-Pyrazole-1-ethanol, 4-(4-(4-(5-((1S)-1-amino-1-(4-fluorophenyl)ethyl)-2-pyrimidinyl)-1-piperazinyl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-1H-Pyrazole-1-ethanol, 4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]-2-pyrimidinyl]-1-piperazinyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-4-[4-[4-[5-[(1S)-1-Amino-1-(4-fluorophenyl)ethyl]-2-pyrimidinyl]-1-piperazinyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1H-pyrazole-1-ethanolexampl4 4 (WO2020210293A1)2-(4-(4-(4-(5-((1S)-1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-1H-pyrazol-1-yl)ethan-1-ol2-(4-(4-(4-(5-((1S)-1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)pyrazol-1-yl)ethanol2-{4-[4-(4-{5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl}piperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1H-pyrazol-1-yl}ethan-1-ol4-(4-(4-(5-((1S)-1-Amino-1-(4-fluorophenyl)ethyl)-2-pyrimidinyl)-1-piperazinyl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-1H-pyrazole-1-ethanol
Data from PubChem (NCBI)
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