tert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate

HCID 66778317

Basic information

Standard SMILES
Cn1cc(-c2cnc3c(c2)c(-c2cn(Cc4ccccc4)nn2)cn3C(=O)OC(C)(C)C)cn1
InChIKey
ZLTYQXMYXIWCAA-UHFFFAOYSA-N
Molecular formula
C25H25N7O2
Average molar mass
455.5 g/mol

Names & identifiers

Preferred name
tert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
IUPAC
tert-butyl 3-(1-benzyltriazol-4-yl)-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate

Names & synonyms

SCHEMBL719766ZLTYQXMYXIWCAA-UHFFFAOYSA-Ntert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate

Database identifiers

PubChem CID
66778317

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
92.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
34

Related reactions

3 records

Linked notes

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