N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-{[3'-({ethyl [2-(methylamino)ethyl]amino}methyl)-3-biphenylyl]methyl}-1,3-benzenedicarboxamide

HCID 67006287

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Basic information

Standard SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CN(CC)CCNC)c3)c2)c1
InChIKey: UVVHLVBAHLDARV-UHFFFAOYSA-N
Molecular formula: C43H54N8O3
Average molar mass: 730.9 g/mol

Names & identifiers

Preferred name: N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-{[3'-({ethyl [2-(methylamino)ethyl]amino}methyl)-3-biphenylyl]methyl}-1,3-benzenedicarboxamide
IUPAC: 3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-1-N-[[3-[3-[[ethyl-[2-(methylamino)ethyl]amino]methyl]phenyl]phenyl]methyl]benzene-1,3-dicarboxamide

Names & synonyms

SCHEMBL1364016UVVHLVBAHLDARV-UHFFFAOYSA-NN-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-{[3'-({ethyl [2-(methylamino)ethyl]amino}methyl)-3-biphenylyl]methyl}-1,3-benzenedicarboxamide

Database identifiers

PubChem CID: 67006287

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 125 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 54
Formal charge: 0
Complexity: 1,140

Related reactions

1 records

New reaction record

HRID 564635As productuspto-grants-2011_11

Compound notes

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