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6-hydroxy-2-isopropyl-1-(pyridin-2-ylmethyl)-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-indole-3-carboxamide

HCID 59762291
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(O)cc2n1Cc1ccccn1
InChIKey
OUJFAWJYJJOOBS-UHFFFAOYSA-N
Molecular formula
C25H23F3N4O2
Average molar mass
468.5 g/mol

Names & identifiers

Preferred name
6-hydroxy-2-isopropyl-1-(pyridin-2-ylmethyl)-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-indole-3-carboxamide
IUPAC
6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide

Names & synonyms

6-hydroxy-2-isopropyl-1-(pyridin-2-ylmethyl)-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-indole-3-carboxamideSCHEMBL4881981

Database identifiers

PubChem CID
59762291

Properties

Computed structural properties

XLogP
4
Topological polar surface area
80 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Formal charge
0
Complexity
692

Related reactions

2 records
New reaction record
HRID 40134 reaction equation
HRID 40134As reactantuspto-grants-2013_09
HRID 147451 reaction equation
HRID 147451As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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