1-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(pyridin-4-yl)ethyl)piperidine-3-carboxamide

HCID 66548960

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Basic information

Standard SMILES: COc1ccc(Nc2nc(N3CCCC(C(=O)NCCc4ccncc4)C3)nc3scnc23)cc1OC
InChIKey: RIOKDCGTLFOODO-UHFFFAOYSA-N
Molecular formula: C26H29N7O3S
Average molar mass: 519.6 g/mol

Names & identifiers

Preferred name: 1-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(pyridin-4-yl)ethyl)piperidine-3-carboxamide
IUPAC: 1-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide

Names & synonyms

CHEMBL2323634SCHEMBL12802958RIOKDCGTLFOODO-UHFFFAOYSA-NBDBM504265291-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(pyridin-4-yl)ethyl)piperidine-3-carboxamide

Database identifiers

PubChem CID: 66548960
ChEMBL: CHEMBL2323634

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 143 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 730

Related reactions

1 records

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HRID 1410044As productuspto-grants-2014_12

Compound notes

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