methyl 4-[({[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]amino}carbonyl)amino]-1H-indazole-1-carboxylate

HCID 22337659
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Basic information

Standard SMILES
COC(=O)n1ncc2c(NC(=O)NCc3ccc(N4C5CCCC4CC5)c(C(F)(F)F)c3)cccc21
InChIKey
KRWWGORMNGUQTK-UHFFFAOYSA-N
Molecular formula
C25H26F3N5O3
Average molar mass
501.5 g/mol

Names & identifiers

Preferred name
methyl 4-[({[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]amino}carbonyl)amino]-1H-indazole-1-carboxylate
IUPAC
methyl 4-[[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-(trifluoromethyl)phenyl]methylcarbamoylamino]indazole-1-carboxylate

Names & synonyms

methyl 4-[({[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]amino}carbonyl)amino]-1H-indazole-1-carboxylateSCHEMBL5018080

Database identifiers

PubChem CID
22337659

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
88.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
36

Related reactions

4 records
New reaction record

Compound notes

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