3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid [2-(2-trifluoromethoxy-benzylamino)-ethyl]amide

HCID 86673151
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Basic information

Standard SMILES
O=C(NCCNCc1ccccc1OC(F)(F)F)c1sccc1Nc1ccnc2[nH]ccc12
InChIKey
JZVVSDNZXPYACP-UHFFFAOYSA-N
Molecular formula
C22H20F3N5O2S
Average molar mass
475.5 g/mol
Monoisotopic mass
475.12898056

Names & identifiers

Preferred name
3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid [2-(2-trifluoromethoxy-benzylamino)-ethyl]amide
IUPAC
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-N-[2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]thiophene-2-carboxamide

Names & synonyms

3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid [2-(2-trifluoromethoxy-benzylamino)-ethyl]amideSCHEMBL19390370

Database identifiers

PubChem CID
86673151

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
119 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
33

Related reactions

1 records
New reaction record

Compound notes

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3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid [2-(2-trifluoromethoxy-benzylamino)-ethyl]amide (HCID 86673151)｜Huagongshe