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1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

HCID 59619680
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Basic information

Standard SMILES
Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc5cc[nH]c5c4)cc3c21
InChIKey
BHDWCVVWJLIEKA-UHFFFAOYSA-N
Molecular formula
C23H19N7O
Average molar mass
409.4 g/mol

Names & identifiers

Preferred name
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
IUPAC
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

Names & synonyms

SCHEMBL3515154BHDWCVVWJLIEKA-UHFFFAOYSA-N1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

Database identifiers

PubChem CID
59619680

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
82.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
31
Formal charge
0
Complexity
705

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Related reactions

2 records
New reaction record
HRID 445660 reaction equation
HRID 445660As productuspto-grants-2013_07
HRID 666186 reaction equation
HRID 666186As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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