5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-methyl-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide

HCID 44554635

Notes Reactions

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Basic information

Standard SMILES: CN1Cc2ccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)nc2C1=O
InChIKey: UTAOGSLDIOSICV-UHFFFAOYSA-N
Molecular formula: C22H20F2N4O3S
Average molar mass: 458.5 g/mol

Names & identifiers

Preferred name: 5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-methyl-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
IUPAC: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide

Names & synonyms

SCHEMBL1673811UTAOGSLDIOSICV-UHFFFAOYSA-N5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-methyl-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide

Database identifiers

PubChem CID: 44554635

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 137 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 732

Related reactions

2 records

New reaction record

HRID 802955As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1799557As productuspto-grants-2013_01

Compound notes

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