Olinciguat
(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
Molecular Identity
Olinciguat
(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
PubChem CID: 90445883
2D Structure
Properties
C21H16F5N7O3
Molecular Formula
509.40
Molecular Weight
g/mol
509.1235
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
145
TPSA
May have limited oral absorption
3
H-Bond Donors
13
H-Bond Acceptors
768
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NCC(C(=O)N)(C(F)(F)F)O)F)C4=NOC=C4)FIsomeric SMILES
SMILES: C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NC[C@@](C(=O)N)(C(F)(F)F)O)F)C4=NOC=C4)FSynonyms(20)
Olinciguat1628732-62-6IW-1701Olinciguat [INN]Olinciguat [USAN]PD5F4ZXD21Olinciguat [USAN:INN]IW1701OLINCIGUAT [WHO-DD](2~{R})-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamidePROPANAMIDE, 3,3,3-TRIFLUORO-2-(((5-FLUORO-2-(1-((2-FLUOROPHENYL)METHYL)-5-(3-ISOXAZOLYL)-1H-PYRAZOL-3-YL)-4-PYRIMIDINYL)AMINO)METHYL)-2-HYDROXY-, (2R)-olinciguatum(2~(R))-3,3,3-trifluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(1,2-oxazol-3-yl)pyrazol-3-yl)pyrimidin-4-yl)amino)methyl)-2-hydroxypropanamide(2R)-3,3,3-TRIFLUORO-2-(((5-FLUORO-2-(1-((2-FLUOROPHENYL)METHYL)-5-(1,2-OXAZOL-3-YL)-1H-PYRAZOL-3-YL)PYRIMIDIN-4-YL)AMINO)METHYL)-2-HYDROXYPROPANAMIDE(2R)-3,3,3-Trifluoro-2-{[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-yl)amino]methyl}-2-hydroxypropanamide
Data from PubChem (NCBI)
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