Basic information
- Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C)CC4)c3)c2)c1- InChIKey
NVCSFSISBQKXBT-UHFFFAOYSA-N- Molecular formula
- C44H53FN8O3
- Average molar mass
- 760.9 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-fluoro-3'-[(4-methyl-1-piperazinyl)methyl]-3-biphenylyl}methyl)-5-methyl-1,3-benzenedicarboxamide
- IUPAC
- 3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-1-N-[[4-fluoro-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-5-methylbenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL1364320NVCSFSISBQKXBT-UHFFFAOYSA-NN-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({6-fluoro-3'-[(4-methyl-1-piperazinyl)methyl]-3-biphenylyl}methyl)-5-methyl-1,3-benzenedicarboxamide
Database identifiers
- PubChem CID
- 57813402
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
2 records
Compound notes
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