1-[4-(4-chloro-5-ethoxy-2-fluorophenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone

HCID 136174648

Notes Reactions

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Basic information

Standard SMILES: CCOc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)c(F)cc1Cl
InChIKey: NQLHAGDVIHYAAU-UHFFFAOYSA-N
Molecular formula: C23H23ClFN7O2
Average molar mass: 483.9 g/mol

Names & identifiers

Preferred name: 1-[4-(4-chloro-5-ethoxy-2-fluorophenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone
IUPAC: 1-[4-(4-chloro-5-ethoxy-2-fluorophenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

Names & synonyms

SCHEMBL1638723NQLHAGDVIHYAAU-UHFFFAOYSA-N1-[4-(4-chloro-5-ethoxy-2-fluorophenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone

Database identifiers

PubChem CID: 136174648

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 92.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 700

Related reactions

7 records

New reaction record

HRID 390565As productuspto-grants-2013_02

HRID 447717As productuspto-grants-2013_07

HRID 503885As productuspto-grants-2010_08

HRID 695579As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 930587As productuspto-grants-2016_03

HRID 1866571As productuspto-grants-2009_12

HRID 2422739As productuspto-grants-2011_06

Compound notes

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