Basic information
- Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(OC)c(-c3cccc(CN4CCNCC4)c3)c2)n1- InChIKey
PXYBGYPBXIKBHO-UHFFFAOYSA-N- Molecular formula
- C42H51N9O4
- Average molar mass
- 745.9 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'-{[6-(methyloxy)-3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}-2,6-pyridinedicarboxamide
- IUPAC
- 6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[4-methoxy-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide
Names & synonyms
SCHEMBL4095410PXYBGYPBXIKBHO-UHFFFAOYSA-NN-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-{[6-(methyloxy)-3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}-2,6-pyridinedicarboxamide
Database identifiers
- PubChem CID
- 44192573
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
2 records
Compound notes
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