Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)N(C)C(C)C)CC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1- InChIKey
BONHQLMMZGRTAB-UHFFFAOYSA-N- Molecular formula
- C41H49FN10O4
- Average molar mass
- 764.9 g/mol
Names & identifiers
- Preferred name
- 4-((5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-n-isopropyl-n-methylpiperazine-1-carboxamide
- IUPAC
- 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-methyl-N-propan-2-ylpiperazine-1-carboxamide
Names & synonyms
SCHEMBL164033BONHQLMMZGRTAB-UHFFFAOYSA-N4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-N-is opropyl-N-methylpiperazine-1-carboxamide4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-n-isopropyl-n-methylpiperazine-1-carboxamide
Database identifiers
- PubChem CID
- 66610599
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
2 records
Compound notes
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