BJJ

N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine


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Chemical Component Summary

NameN-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
Identifiers~{N}-[[2-chloranyl-5-[2-[2-chloranyl-5-[5-methylsulfonyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]phenyl]ethyl]phenyl]methyl]-1-phenyl-methanamine
FormulaC36 H43 Cl2 N5 O3 S
Molecular Weight696.729
TypeNON-POLYMER
Isomeric SMILESCS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1
InChIInChI=1S/C36H43Cl2N5O3S/c1-47(44,45)42-17-14-35-32(26-42)36(40-43(35)16-5-15-41-18-20-46-21-19-41)30-11-13-33(37)29(23-30)10-8-27-9-12-34(38)31(22-27)25-39-24-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,22-23,39H,5,8,10,14-21,24-26H2,1H3
InChIKeyZWXXUSFMMWHRMT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count90
Chiral Atom Count0
Bond Count95
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 25026363