HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

N-(5-cyano-2-pyridinyl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide

HCID 76550367
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOCC(Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C#N)cn1
InChIKey
GXPVVAJWDPUCSL-UHFFFAOYSA-N
Molecular formula
C23H18F3N7O3
Average molar mass
497.4 g/mol

Names & identifiers

Preferred name
N-(5-cyano-2-pyridinyl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide
IUPAC
N-(5-cyano-2-pyridinyl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide

Database identifiers

PubChem CID
76550367

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
128 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
795

Related reactions

1 records
New reaction record
HRID 1556845 reaction equation
HRID 1556845As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes