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Basic information
- Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CN(Cc1ccc(OC)c(-c2cccc(CC3CCN(C)CC3)c2)c1)C(=O)C1(C(N)=O)CC1- InChIKey
JKSIMNISCFZYMP-UHFFFAOYSA-N- Molecular formula
- C42H55N7O4
- Average molar mass
- 721.9 g/mol
Names & identifiers
- Preferred name
- n1-{[1,6-Diethyl-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridin-5-yl]methyl}-n1-({6-(methyloxy)-3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)-1,1-cyclopropanedicarboxamide
- IUPAC
- 1-N'-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-1-N'-[[4-methoxy-3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]cyclopropane-1,1-dicarboxamide
Names & synonyms
SCHEMBL4356964JKSIMNISCFZYMP-UHFFFAOYSA-Nn1-{[1,6-diethyl-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridin-5-yl]methyl}-n1-({6-(methyloxy)-3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)-1,1-cyclopropanedicarboxamide
Database identifiers
- PubChem CID
- 69014751
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
1 records
Compound notes
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