(2E)-3-{3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-N-(4-hydroxy-3-methoxybenzyl)prop-2-enamide

HCID 69062256
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Basic information

Standard SMILES
COc1cc(CNC(=O)/C=C/c2c(C#N)c3c(C)cc(C)nc3n2[C@H]2CCCc3ccccc32)ccc1O
InChIKey
WFNJEBZDMXQHTN-OSVJCPFSSA-N
Molecular formula
C31H30N4O3
Average molar mass
506.6 g/mol
Monoisotopic mass
506.23179083

Names & identifiers

Preferred name
(2E)-3-{3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-N-(4-hydroxy-3-methoxybenzyl)prop-2-enamide
IUPAC
(E)-3-[3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide

Names & synonyms

SCHEMBL4487126WFNJEBZDMXQHTN-OSVJCPFSSA-N(2E)-3-{3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-N-(4-hydroxy-3-methoxybenzyl)prop-2-enamide

Database identifiers

PubChem CID
69062256

Properties

Computed structural properties

XLogP
5
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
38

Related reactions

1 records
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Compound notes

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