4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol

C47H49N11O — CID 142923631

About 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol

4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol (PubChem CID 142923631) has the molecular formula C47H49N11O and a molecular weight of 783.99 g/mol. Its IUPAC name is 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol
• PubChem CID: 142923631
• Molecular Formula: C47H49N11O
• Molecular Weight: 783.99 g/mol
• Exact Mass: 783.41
• IUPAC Name: 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol
• SMILES: Cc1nc2nc(Cc3nc4nc(N)cc(-c5cc6cc(CN(C)C7CCC(O)CC7)ccc6[nH]5)c4[nH]3)cc(-c3cc4ccc(CN(C)Cc5ccccc5)cc4[nH]3)c2[nH]1
• InChI: InChI=1S/C47H49N11O/c1-27-49-44-36(40-19-31-11-9-30(18-39(31)53-40)25-57(2)24-28-7-5-4-6-8-28)21-33(51-46(44)50-27)22-43-55-45-37(23-42(48)54-47(45)56-43)41-20-32-17-29(10-16-38(32)52-41)26-58(3)34-12-14-35(59)15-13-34/h4-11,16-21,23,34-35,52-53,59H,12-15,22,24-26H2,1-3H3,(H,49,50,51)(H3,48,54,55,56)
• InChIKey: PUCOBYMFYJRUHR-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 167.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.99
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol?

The IUPAC name of 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol (CID 142923631) is 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol.

What is the SMILES notation for 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol?

The canonical SMILES for 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol is Cc1nc2nc(Cc3nc4nc(N)cc(-c5cc6cc(CN(C)C7CCC(O)CC7)ccc6[nH]5)c4[nH]3)cc(-c3cc4ccc(CN(C)Cc5ccccc5)cc4[nH]3)c2[nH]1.

What is the InChIKey of 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol?

The InChIKey is PUCOBYMFYJRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H49N11O/c1-27-49-44-36(40-19-31-11-9-30(18-39(31)53-40)25-57(2)24-28-7-5-4-6-8-28)21-33(51-46(44)50-27)22-43-55-45-37(23-42(48)54-47(45)56-43)41-20-32-17-29(10-16-38(32)52-41)26-58(3)34-12-14-35(59)15-13-34/h4-11,16-21,23,34-35,52-53,59H,12-15,22,24-26H2,1-3H3,(H,49,50,51)(H3,48,54,55,56).

What are the key properties of 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol?

4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol has a molecular weight of 783.99 g/mol, XLogP of 8.37, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 142923631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).