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1,7-dimethyl-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 54771321
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1ccnc2c1n(C)c(=O)n2-c1ccc(Oc2nc3cccnc3n2C)cc1
InChIKey
ADFSTLRRHDHJAP-UHFFFAOYSA-N
Molecular formula
C21H18N6O2
Average molar mass
386.4 g/mol
Monoisotopic mass
386.14912384

Names & identifiers

Preferred name
1,7-dimethyl-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
1,7-dimethyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]imidazo[4,5-b]pyridin-2-one

Names & synonyms

SCHEMBL1699325ADFSTLRRHDHJAP-UHFFFAOYSA-N1,7-dimethyl-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
54771321

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
76.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Formal charge
0
Complexity
612

Related reactions

4 records
New reaction record
HRID 82688 reaction equation
HRID 82688As productuspto-grants-2014_09
HRID 159240 reaction equation
HRID 159240As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 587602 reaction equation
HRID 587602As productuspto-grants-2016_01
HRID 1044306 reaction equation
HRID 1044306As productuspto-grants-2013_10

Compound notes

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