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6-methyl-1-(1-methylethyl)-3-{4-[(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)oxy]phenyl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

HCID 54771095
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cnc2c(c1)n(C(C)C)c(=O)n2-c1ccc(Oc2nc3cccnc3n2C)cc1
InChIKey
AMFFEEPDMFDUNE-UHFFFAOYSA-N
Molecular formula
C23H22N6O2
Average molar mass
414.5 g/mol
Monoisotopic mass
414.18042397

Names & identifiers

Preferred name
6-methyl-1-(1-methylethyl)-3-{4-[(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)oxy]phenyl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
IUPAC
6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-1-propan-2-ylimidazo[4,5-b]pyridin-2-one

Names & synonyms

SCHEMBL9981580AMFFEEPDMFDUNE-UHFFFAOYSA-N6-methyl-1-(1-methylethyl)-3-{4-[(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)oxy]phenyl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

Database identifiers

PubChem CID
54771095

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
76.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Formal charge
0
Complexity
654

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Related reactions

5 records
New reaction record
HRID 82642 reaction equation
HRID 82642As productuspto-grants-2014_09
HRID 587555 reaction equation
HRID 587555As productuspto-grants-2016_01
HRID 1044261 reaction equation
HRID 1044261As productuspto-grants-2013_10
HRID 1430013 reaction equation
HRID 1430013As productuspto-grants-2015_01
HRID 2319045 reaction equation
HRID 2319045As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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