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-[2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

HCID 178504243
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C[Si](C)(C)CCOCn1cc(C(=O)NC(C(=O)N2CC(C#N)C2)C2CC2)c2nc(-c3ccc(C(F)(F)F)cc3)cnc21
InChIKey
MWKFUUMKNPPVAT-UHFFFAOYSA-N
Molecular formula
C29H33F3N6O3Si
Average molar mass
598.7 g/mol
Monoisotopic mass
598.23354996

Names & identifiers

IUPAC
N-[2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

Database identifiers

PubChem CID
77276650

Properties

Computed structural propertiesFilling in

Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
42
Formal charge
0
Complexity
1,030

Related reactions

2 records
New reaction record
HRID 144869 reaction equation
HRID 144869As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 313990 reaction equation
HRID 313990As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes