N-(4-{4-amino-7-[(3-morpholin-4-ylpropanoyl)amino]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

HCID 18451209

Notes Reactions

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Basic information

Standard SMILES: COc1cc(-c2csc3c(NC(=O)CCN4CCOCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: SNGDZSISNLJMFZ-UHFFFAOYSA-N
Molecular formula: C31H32N6O4S
Average molar mass: 584.7 g/mol

Names & identifiers

Preferred name: N-(4-{4-amino-7-[(3-morpholin-4-ylpropanoyl)amino]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
IUPAC: N-[4-[4-amino-7-(3-morpholin-4-ylpropanoylamino)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

Names & synonyms

SCHEMBL3530173SNGDZSISNLJMFZ-UHFFFAOYSA-NN-(4-{4-amino-7-[(3-morpholin-4-ylpropanoyl)amino]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

Database identifiers

PubChem CID: 18451209

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 42
Formal charge: 0
Complexity: 939

Related reactions

4 records

New reaction record

HRID 17226As productuspto-grants-2010_06

HRID 143050As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1270955As productuspto-grants-2007_04

HRID 2390727As productuspto-grants-2012_09

Compound notes

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