N-[4-(2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-phenyl]-methane sulfonamide

HCID 59244358

Notes Reactions

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Basic information

Standard SMILES: CS(=O)(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cc1
InChIKey: CMYQJLREXMGTEL-UHFFFAOYSA-N
Molecular formula: C22H24N6O3S
Average molar mass: 452.5 g/mol

Names & identifiers

Preferred name: N-[4-(2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-phenyl]-methane sulfonamide
IUPAC: N-[4-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanesulfonamide

Names & synonyms

SCHEMBL2376488CMYQJLREXMGTEL-UHFFFAOYSA-NN-[4-(2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-phenyl]-methane sulfonamide

Database identifiers

PubChem CID: 59244358

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 714

Related reactions

2 records

New reaction record

HRID 669855As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 912124As productuspto-grants-2011_09

Compound notes

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