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N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(3-morpholin-4-ylpropyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide

HCID 66966254
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(CNC(=O)C=Cc2cnc3c(c2)CN(CCCN2CCOCC2)C(=O)N3)sc2ccccc12
InChIKey
DJYBGWPYOYFLSD-UHFFFAOYSA-N
Molecular formula
C27H31N5O3S
Average molar mass
505.6 g/mol

Names & identifiers

Preferred name
N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(3-morpholin-4-ylpropyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
IUPAC
N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(3-morpholin-4-ylpropyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide

Names & synonyms

SCHEMBL5137621

Database identifiers

PubChem CID
66966254

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
791

Related reactions

1 records
New reaction record
HRID 188035 reaction equation
HRID 188035As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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