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3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[(1,7-dimethylindol-2-yl)methyl]-N-methylprop-2-enamide

HCID 66966237
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc2cc(CN(C)C(=O)C=Cc3cnc(N)c(CN4CCOCC4)c3)n(C)c12
InChIKey
FXTAXLHGPHMGJX-UHFFFAOYSA-N
Molecular formula
C25H31N5O2
Average molar mass
433.5 g/mol
Monoisotopic mass
433.24777525

Names & identifiers

Preferred name
3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[(1,7-dimethylindol-2-yl)methyl]-N-methylprop-2-enamide
IUPAC
3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[(1,7-dimethylindol-2-yl)methyl]-N-methylprop-2-enamide

Names & synonyms

SCHEMBL5082475

Database identifiers

PubChem CID
66966237

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
76.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
652

Related reactions

1 records
New reaction record
HRID 815890 reaction equation
HRID 815890As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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