N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-1-methyl-1H-indole-4-sulfonamide

HCID 86702986

Notes Reactions

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Basic information

Standard SMILES: Cn1ccc2c(S(=O)(=O)Nc3ccc(F)c(Nc4ncccc4-c4ncnc5c4ncn5C4CCCCO4)c3F)cccc21
InChIKey: SOIRTNSFJDQCOU-UHFFFAOYSA-N
Molecular formula: C30H26F2N8O3S
Average molar mass: 616.6 g/mol

Names & identifiers

Preferred name: N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-1-methyl-1H-indole-4-sulfonamide
IUPAC: N-[2,4-difluoro-3-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]amino]phenyl]-1-methylindole-4-sulfonamide

Names & synonyms

SCHEMBL15300325SOIRTNSFJDQCOU-UHFFFAOYSA-NN-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-1-methyl-1H-indole-4-sulfonamide

Database identifiers

PubChem CID: 86702986

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 137 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 11
Rotatable bonds: 7
Heavy atoms: 44
Formal charge: 0
Complexity: 1,090

Related reactions

2 records

New reaction record

HRID 1505562As productuspto-grants-2015_12

HRID 1505563As reactantuspto-grants-2015_12

Compound notes

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