N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide

C32H32N4O6S2 — CID 67147563

IUPACN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C32H32N4O6S2/c1-35-19-25(24-15-29(41-4)30(42-5)16-27(24)35)26-14-23-20(10-11-33-32(23)34-26)17-36(44(37,38)31-7-6-12-43-31)18-21-8-9-22(39-2)13-28(21)40-3/h6-16,19H,17-18H2,1-5H3,(H,33,34)
InChIKeyXMOXUVZZOINTGJ-UHFFFAOYSA-N
MW632.76 g/mol
LogP6.21
Rot. Bonds11

About N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 67147563) has the molecular formula C32H32N4O6S2 and a molecular weight of 632.76 g/mol. Its IUPAC name is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID67147563
Molecular FormulaC32H32N4O6S2
Molecular Weight632.76 g/mol
Exact Mass632.18
IUPAC NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C32H32N4O6S2/c1-35-19-25(24-15-29(41-4)30(42-5)16-27(24)35)26-14-23-20(10-11-33-32(23)34-26)17-36(44(37,38)31-7-6-12-43-31)18-21-8-9-22(39-2)13-28(21)40-3/h6-16,19H,17-18H2,1-5H3,(H,33,34)
InChIKeyXMOXUVZZOINTGJ-UHFFFAOYSA-N
XLogP6.21
TPSA107.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 67147745
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 67147510
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 67147740
1-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 87286734
4-[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-phenylbutan-1-amine
CID 67147725
[1-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]azetidin-3-yl]methylcarbamic acid
CID 142685657
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-2-ethoxyethanamine
CID 91175099
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 22477297
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
6-methoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-ol
CID 22477195
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine
CID 67147632
4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 87892706

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide (CID 67147563) is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is XMOXUVZZOINTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O6S2/c1-35-19-25(24-15-29(41-4)30(42-5)16-27(24)35)26-14-23-20(10-11-33-32(23)34-26)17-36(44(37,38)31-7-6-12-43-31)18-21-8-9-22(39-2)13-28(21)40-3/h6-16,19H,17-18H2,1-5H3,(H,33,34).
What are the key properties of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 632.76 g/mol, XLogP of 6.21, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67147563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).