2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol

C51H39N11O — CID 146262284

IUPAC2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol
SMILESCN(Cc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12)Cn1nc(-c2nc3c(CCO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C51H39N11O/c1-61(28-35-11-7-15-44-47(35)57-50(54-44)48-38-22-31(16-18-42(38)58-59-48)40-26-52-24-33-8-2-4-12-36(33)40)29-62-45-19-17-32(41-27-53-25-34-9-3-5-13-37(34)41)23-39(45)49(60-62)51-55-43-14-6-10-30(20-21-63)46(43)56-51/h2-19,22-27,63H,20-21,28-29H2,1H3,(H,54,57)(H,55,56)(H,58,59)
InChIKeyVCEGJCWZBNVZSD-UHFFFAOYSA-N
MW821.95 g/mol
LogP10.05
Rot. Bonds10

About 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol

2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol (PubChem CID 146262284) has the molecular formula C51H39N11O and a molecular weight of 821.95 g/mol. Its IUPAC name is 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol
PubChem CID146262284
Molecular FormulaC51H39N11O
Molecular Weight821.95 g/mol
Exact Mass821.33
IUPAC Name2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol
SMILESCN(Cc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12)Cn1nc(-c2nc3c(CCO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C51H39N11O/c1-61(28-35-11-7-15-44-47(35)57-50(54-44)48-38-22-31(16-18-42(38)58-59-48)40-26-52-24-33-8-2-4-12-36(33)40)29-62-45-19-17-32(41-27-53-25-34-9-3-5-13-37(34)41)23-39(45)49(60-62)51-55-43-14-6-10-30(20-21-63)46(43)56-51/h2-19,22-27,63H,20-21,28-29H2,1H3,(H,54,57)(H,55,56)(H,58,59)
InChIKeyVCEGJCWZBNVZSD-UHFFFAOYSA-N
XLogP10.05
TPSA153.11 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.95
LogP ≤ 510.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol?
The IUPAC name of 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol (CID 146262284) is 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol is CN(Cc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12)Cn1nc(-c2nc3c(CCO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21.
What is the InChIKey of 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol?
The InChIKey is VCEGJCWZBNVZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N11O/c1-61(28-35-11-7-15-44-47(35)57-50(54-44)48-38-22-31(16-18-42(38)58-59-48)40-26-52-24-33-8-2-4-12-36(33)40)29-62-45-19-17-32(41-27-53-25-34-9-3-5-13-37(34)41)23-39(45)49(60-62)51-55-43-14-6-10-30(20-21-63)46(43)56-51/h2-19,22-27,63H,20-21,28-29H2,1H3,(H,54,57)(H,55,56)(H,58,59).
What are the key properties of 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol?
2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol has a molecular weight of 821.95 g/mol, XLogP of 10.05, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol is sourced from PubChem (CID 146262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).