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8-(4-Cyclobutyl-2-fluoro-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid

HCID 59565203
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccn2cncc2c1Nc1ccc(C2CCC2)cc1F
InChIKey
QWTNLPQQVQDJPZ-UHFFFAOYSA-N
Molecular formula
C18H16FN3O2
Average molar mass
325.3 g/mol

Names & identifiers

Preferred name
8-(4-Cyclobutyl-2-fluoro-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid
IUPAC
8-(4-cyclobutyl-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid

Names & synonyms

SCHEMBL1969220QWTNLPQQVQDJPZ-UHFFFAOYSA-N8-(4-Cyclobutyl-2-fluoro-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid

Database identifiers

PubChem CID
59565203

Properties

Computed structural properties

XLogP
5
Topological polar surface area
66.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
473

Related reactions

4 records
New reaction record
HRID 945807 reaction equation
HRID 945807As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1235588 reaction equation
HRID 1235588As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2067032 reaction equation
HRID 2067032As productuspto-grants-2012_10
HRID 2067033 reaction equation
HRID 2067033As reactantuspto-grants-2012_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes