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3-[(4-fluorophenyl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine

HCID 12891767
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(Cn2c(NC3CCNCC3)nc3cccnc32)cc1
InChIKey
JETPDTHMMGQCJH-UHFFFAOYSA-N
Molecular formula
C18H20FN5
Average molar mass
325.4 g/mol
Monoisotopic mass
325.17027382

Names & identifiers

Preferred name
3-[(4-fluorophenyl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine
IUPAC
3-[(4-fluorophenyl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine

Database identifiers

PubChem CID
12891767

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
54.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
395

Related reactions

1 records
New reaction record
HRID 199846 reaction equation
HRID 199846As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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