Ilorasertib
1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
Molecular Identity
Ilorasertib
1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
PubChem CID: 46207586
2D Structure
Properties
C25H21FN6O2S
Molecular Formula
488.50
Molecular Weight
g/mol
488.1431
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
146
TPSA
May have limited oral absorption
4
H-Bond Donors
7
H-Bond Acceptors
713
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)NIsomeric SMILES
SMILES: C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)NSynonyms(20)
ILORASERTIB1227939-82-3ABT-3481-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea1-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-fluorophenyl)ureaABBOTT-968660A-968660.06L5D03D975A-968660DTXSID10153718Urea, N-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno(3,2-c)pyridin-3-yl)phenyl)-N'-(3-fluorophenyl)-1-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno(3,2-c)pyridin-3-yl)phenyl)-3-(3-fluorophenyl)ureailorasertibum1-(4-(4-amino-7-(1-(2-hydroxyethyl)pyrazol-4-yl)thieno(3,2-c)pyridin-3-yl)phenyl)-3-(3-fluorophenyl)ureaRefChem:147898
Data from PubChem (NCBI)
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