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

C34H34N4O6S — CID 67147745

IUPACN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C34H34N4O6S/c1-37-21-28(27-17-32(43-4)33(44-5)18-30(27)37)29-16-26-22(13-14-35-34(26)36-29)19-38(45(39,40)25-9-7-6-8-10-25)20-23-11-12-24(41-2)15-31(23)42-3/h6-18,21H,19-20H2,1-5H3,(H,35,36)
InChIKeyDPRAHEKTZZXGRH-UHFFFAOYSA-N
MW626.74 g/mol
LogP6.15
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]benzenesulfonamide

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 67147745) has the molecular formula C34H34N4O6S and a molecular weight of 626.74 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]benzenesulfonamide.

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]benzenesulfonamide
PubChem CID67147745
Molecular FormulaC34H34N4O6S
Molecular Weight626.74 g/mol
Exact Mass626.22
IUPAC NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C34H34N4O6S/c1-37-21-28(27-17-32(43-4)33(44-5)18-30(27)37)29-16-26-22(13-14-35-34(26)36-29)19-38(45(39,40)25-9-7-6-8-10-25)20-23-11-12-24(41-2)15-31(23)42-3/h6-18,21H,19-20H2,1-5H3,(H,35,36)
InChIKeyDPRAHEKTZZXGRH-UHFFFAOYSA-N
XLogP6.15
TPSA107.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.74
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide 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]thiophene-2-sulfonamide
CID 67147563
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
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]-3-[4-(trifluoromethoxy)phenyl]urea
CID 87286734
[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
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 22477297
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
6-methoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-ol
CID 22477195
5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
CID 142199899
methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate
CID 166885362
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
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784

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]benzenesulfonamide?
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]benzenesulfonamide (CID 67147745) is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide.
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]benzenesulfonamide?
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]benzenesulfonamide is COc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2ccccc2)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]benzenesulfonamide?
The InChIKey is DPRAHEKTZZXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O6S/c1-37-21-28(27-17-32(43-4)33(44-5)18-30(27)37)29-16-26-22(13-14-35-34(26)36-29)19-38(45(39,40)25-9-7-6-8-10-25)20-23-11-12-24(41-2)15-31(23)42-3/h6-18,21H,19-20H2,1-5H3,(H,35,36).
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]benzenesulfonamide?
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 626.74 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 8 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]benzenesulfonamide is sourced from PubChem (CID 67147745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).