US9834551, Example 13

HCID 86301294

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1
InChIKey: FTTKHDMLXABWMD-XBXARRHUSA-N
Molecular formula: C19H19N3O
Average molar mass: 305.4 g/mol

Names & identifiers

Preferred name: US9834551, Example 13
IUPAC: (E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide

Names & synonyms

CHEMBL5950036SCHEMBL16176671FTTKHDMLXABWMD-XBXARRHUSA-NUS9834551, Example 13BDBM362356N-(2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)acrylamide(E)-N-(3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)pent-2-enamide

Database identifiers

PubChem CID: 86301294
ChEMBL: CHEMBL5950036

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 436

Related reactions

1 records

New reaction record

HRID 1500826As productuspto-grants-2015_12

Compound notes

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