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N-(4,4-dimethyl-1,2,3,4-tetrahydro-7-quinolinyl)-2-((1H-pyrazolo[3,4-b]pyridin-4-ylmethyl)amino)-3-pyridinecarboxamide

HCID 58942003
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Basic information

Standard SMILES
CC1(C)CCNc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ncc34)ccc21
InChIKey
FLMWDNFIHQMWHD-UHFFFAOYSA-N
Molecular formula
C24H25N7O
Average molar mass
427.5 g/mol

Names & identifiers

Preferred name
N-(4,4-dimethyl-1,2,3,4-tetrahydro-7-quinolinyl)-2-((1H-pyrazolo[3,4-b]pyridin-4-ylmethyl)amino)-3-pyridinecarboxamide
IUPAC
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide

Names & synonyms

SCHEMBL4968522FLMWDNFIHQMWHD-UHFFFAOYSA-NN-(4,4-dimethyl-1,2,3,4-tetrahydro-7-quinolinyl)-2-((1H-pyrazolo[3,4-b]pyridin-4-ylmethyl)amino)-3-pyridinecarboxamide

Database identifiers

PubChem CID
58942003

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
108 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
658

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Related reactions

2 records
New reaction record
HRID 312506 reaction equation
HRID 312506As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 888163 reaction equation
HRID 888163As productuspto-grants-2012_08

Compound notes

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