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

HCID 68678382

Basic information

Standard SMILES
COc1cc(-c2csc3c(/C=C\C(=O)NC4CCNCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey
LWFUXNXEICJHRT-NTMALXAHSA-N
Molecular formula
C32H32N6O3S
Average molar mass
580.7 g/mol

Names & identifiers

Preferred name
n-(4-{4-Amino-7-[(1z)-3-oxo-3-(4-piperidinylamino)-1-propenyl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
IUPAC
N-[4-[4-amino-7-[(Z)-3-oxo-3-(piperidin-4-ylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

Names & synonyms

SCHEMBL3530046LWFUXNXEICJHRT-NTMALXAHSA-Nn-(4-{4-amino-7-[(1z)-3-oxo-3-(4-piperidinylamino)-1-propenyl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide

Database identifiers

PubChem CID
68678382

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
152 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
42

Related reactions

3 records

Linked notes

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