tert-Butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazole-1-carboxylate

HCID 24959832

Basic information

Standard SMILES
CC1=C(C#N)C(c2ccc3c(c2)c(N)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1
InChIKey
MCFSSSURIQTDAR-UHFFFAOYSA-N
Molecular formula
C21H22N6O2
Average molar mass
390.4 g/mol

Names & identifiers

Preferred name
tert-Butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazole-1-carboxylate
IUPAC
tert-butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)indazole-1-carboxylate

Names & synonyms

SCHEMBL1415058MCFSSSURIQTDAR-UHFFFAOYSA-N3-amino-5-(3,5-dicyano-1,4-dihydro-2,6-dimethyl-4-pyridinyl)-1H-indazole-1-carboxylic acid tert-butyl estertert-Butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazole-1-carboxylate

Database identifiers

PubChem CID
24959832

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
130 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
29

Related reactions

13 records

Compound notes

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