n-{4-[4-Amino-7-((1e)-3-oxo-3-{[2-(1-piperidinyl)ethyl]amino}-1-propenyl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1h-indole-2-carboxamide

HCID 18451052

Basic information

Standard SMILES
COc1cc(-c2csc3c(/C=C/C(=O)NCCN4CCCCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey
LSASSBXKVIVYQF-ACCUITESSA-N
Molecular formula
C34H36N6O3S
Average molar mass
608.8 g/mol

Names & identifiers

Preferred name
n-{4-[4-Amino-7-((1e)-3-oxo-3-{[2-(1-piperidinyl)ethyl]amino}-1-propenyl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1h-indole-2-carboxamide
IUPAC
N-[4-[4-amino-7-[(E)-3-oxo-3-(2-piperidin-1-ylethylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

Names & synonyms

SCHEMBL3532938LSASSBXKVIVYQF-ACCUITESSA-Nn-{4-[4-amino-7-((1e)-3-oxo-3-{[2-(1-piperidinyl)ethyl]amino}-1-propenyl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1h-indole-2-carboxamide

Database identifiers

PubChem CID
18451052

Properties

Computed structural properties

XLogP
5
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
44

Related reactions

5 records

Linked notes

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