2-((3-Methyl-4-(2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylthio)-2-pyridyl)methylthio)imidazo[5,4-b]pyridine

HCID 19963071

Notes Reactions

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Basic information

Standard SMILES: Cc1c(SCCN2CCc3ccccc3C2)ccnc1CSc1nc2ncccc2[nH]1
InChIKey: QGFLMCGANDTUTP-UHFFFAOYSA-N
Molecular formula: C24H25N5S2
Average molar mass: 447.6 g/mol

Names & identifiers

Preferred name: 2-((3-Methyl-4-(2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylthio)-2-pyridyl)methylthio)imidazo[5,4-b]pyridine
IUPAC: 2-[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-3-methyl-4-pyridinyl]sulfanyl]ethyl]-3,4-dihydro-1H-isoquinoline

Names & synonyms

SCHEMBL8914888SCHEMBL8914889QGFLMCGANDTUTP-UHFFFAOYSA-N2-((3-methyl-4-(2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylthio)-2-pyridyl)methylthio)imidazo[5,4-b]pyridine

Database identifiers

PubChem CID: 19963071

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 566

Related reactions

2 records

New reaction record

HRID 52142As productuspto-grants-1997_04

HRID 154798As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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