Nacresertib
N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide
Molecular Identity
Nacresertib
N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide
PubChem CID: 156710490
2D Structure
Properties
C22H26N4O4
Molecular Formula
410.50
Molecular Weight
g/mol
410.1954
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
612
Complexity
SMILES
Canonical SMILES
SMILES: CC1=[N+](C(=CC=C1)C(=O)NC2=CC3=CN(N=C3C=C2OC)C4CCC(CC4)(C)O)[O-]Isomeric SMILES
SMILES: CC1=[N+](C(=CC=C1)C(=O)NC2=CC3=CN(N=C3C=C2OC)C4CCC(CC4)(C)O)[O-]Synonyms(12)
nacresertibnacresertib [INN]MB3QBD4BE7CHEMBL6068062SCHEMBL25941222SCHEMBL27028238GTPL13502compound 001 [WO2021057785]2-({2-[(1r,4r)-4-hydroxy-4-methylcyclohexyl]-6-methoxy-2H-indazol-5-yl}carbamoyl)-6-methylpyridine 1-oxide2-PYRIDINECARBOXAMIDE, N-(2-(TRANS-4-HYDROXY-4-METHYLCYCLOHEXYL)-6-METHOXY-2H-INDAZOL-5-YL)-6-METHYL-, 1-OXIDE2629977-59-7N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide
Data from PubChem (NCBI)
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