N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine

C62H69N15 — CID 142923705

IUPACN-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine
SMILESCCN(CC)Cc1ccc2[nH]c(-c3c(Cc4nc5ncc(Cc6nc7nccc(-c8cc9cc(CN(C)C(C)(C)C)ccc9[nH]8)c7[nH]6)c(-c6cc7ccc(CN(C)C(C)(C)C)cc7[nH]6)c5[nH]4)cnc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C62H69N15/c1-12-77(13-2)34-37-16-19-46-41(23-37)27-50(69-46)53-42(30-64-59-56(53)66-35(3)67-59)29-52-72-57-54(49-25-39-17-14-38(24-47(39)70-49)33-76(11)62(7,8)9)43(31-65-60(57)74-52)28-51-71-55-44(20-21-63-58(55)73-51)48-26-40-22-36(15-18-45(40)68-48)32-75(10)61(4,5)6/h14-27,30-31,68-70H,12-13,28-29,32-34H2,1-11H3,(H,63,71,73)(H,64,66,67)(H,65,72,74)
InChIKeyGAYKPWVHIVIBIA-UHFFFAOYSA-N
MW1024.34 g/mol
LogP12.74
Rot. Bonds15

About N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine

N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine (PubChem CID 142923705) has the molecular formula C62H69N15 and a molecular weight of 1024.34 g/mol. Its IUPAC name is N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine
PubChem CID142923705
Molecular FormulaC62H69N15
Molecular Weight1024.34 g/mol
Exact Mass1023.59
IUPAC NameN-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine
SMILESCCN(CC)Cc1ccc2[nH]c(-c3c(Cc4nc5ncc(Cc6nc7nccc(-c8cc9cc(CN(C)C(C)(C)C)ccc9[nH]8)c7[nH]6)c(-c6cc7ccc(CN(C)C(C)(C)C)cc7[nH]6)c5[nH]4)cnc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C62H69N15/c1-12-77(13-2)34-37-16-19-46-41(23-37)27-50(69-46)53-42(30-64-59-56(53)66-35(3)67-59)29-52-72-57-54(49-25-39-17-14-38(24-47(39)70-49)33-76(11)62(7,8)9)43(31-65-60(57)74-52)28-51-71-55-44(20-21-63-58(55)73-51)48-26-40-22-36(15-18-45(40)68-48)32-75(10)61(4,5)6/h14-27,30-31,68-70H,12-13,28-29,32-34H2,1-11H3,(H,63,71,73)(H,64,66,67)(H,65,72,74)
InChIKeyGAYKPWVHIVIBIA-UHFFFAOYSA-N
XLogP12.74
TPSA181.80 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.34
LogP ≤ 512.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine (CID 142923705) is N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine is CCN(CC)Cc1ccc2[nH]c(-c3c(Cc4nc5ncc(Cc6nc7nccc(-c8cc9cc(CN(C)C(C)(C)C)ccc9[nH]8)c7[nH]6)c(-c6cc7ccc(CN(C)C(C)(C)C)cc7[nH]6)c5[nH]4)cnc4nc(C)[nH]c34)cc2c1.
What is the InChIKey of N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine?
The InChIKey is GAYKPWVHIVIBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H69N15/c1-12-77(13-2)34-37-16-19-46-41(23-37)27-50(69-46)53-42(30-64-59-56(53)66-35(3)67-59)29-52-72-57-54(49-25-39-17-14-38(24-47(39)70-49)33-76(11)62(7,8)9)43(31-65-60(57)74-52)28-51-71-55-44(20-21-63-58(55)73-51)48-26-40-22-36(15-18-45(40)68-48)32-75(10)61(4,5)6/h14-27,30-31,68-70H,12-13,28-29,32-34H2,1-11H3,(H,63,71,73)(H,64,66,67)(H,65,72,74).
What are the key properties of N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine?
N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine has a molecular weight of 1024.34 g/mol, XLogP of 12.74, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[[7-[6-[[tert-butyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[5-(diethylaminomethyl)-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 142923705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).