Tigulixostat
1-(3-cyano-1-propan-2-ylindol-5-yl)pyrazole-4-carboxylic acid
Molecular Identity
Tigulixostat
1-(3-cyano-1-propan-2-ylindol-5-yl)pyrazole-4-carboxylic acid
PubChem CID: 51039100
2D Structure
Properties
C16H14N4O2
Molecular Formula
294.31
Molecular Weight
g/mol
294.1117
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
486
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1C=C(C2=C1C=CC(=C2)N3C=C(C=N3)C(=O)O)C#NIsomeric SMILES
SMILES: CC(C)N1C=C(C2=C1C=CC(=C2)N3C=C(C=N3)C(=O)O)C#NSynonyms(20)
Tigulixostat1287766-55-5Tigulixostat [INN]WZ0PYQ6VLULC350189LC-3501891H-Pyrazole-4-carboxylic acid, 1-(3-cyano-1-(1-methylethyl)-1H-indol-5-yl)-1H-Pyrazole-4-carboxylic acid, 1-[3-cyano-1-(1-methylethyl)-1H-indol-5-yl]-RefChem:190000UNII-WZ0PYQ6VLU1-(3-cyano-1-propan-2-ylindol-5-yl)pyrazole-4-carboxylic acidTigulixostat [WHO-DD]orb1689402SCHEMBL1647151CHEMBL3652780
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tigulixostat
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