N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide

C31H30N6O3S — CID 155461039

IUPACN-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
SMILESCCC(c1ccccn1)(c1ccccn1)n1ccc2c(NS(=O)(=O)CC)cc(-c3cn(C)c4c(=O)[nH]ccc34)cc21
InChIInChI=1S/C31H30N6O3S/c1-4-31(27-10-6-8-14-32-27,28-11-7-9-15-33-28)37-17-13-23-25(35-41(39,40)5-2)18-21(19-26(23)37)24-20-36(3)29-22(24)12-16-34-30(29)38/h6-20,35H,4-5H2,1-3H3,(H,34,38)
InChIKeyDBSKJKYNRNKLDP-UHFFFAOYSA-N
MW566.69 g/mol
LogP5.24
Rot. Bonds8

About N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide

N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide (PubChem CID 155461039) has the molecular formula C31H30N6O3S and a molecular weight of 566.69 g/mol. Its IUPAC name is N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
PubChem CID155461039
Molecular FormulaC31H30N6O3S
Molecular Weight566.69 g/mol
Exact Mass566.21
IUPAC NameN-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
SMILESCCC(c1ccccn1)(c1ccccn1)n1ccc2c(NS(=O)(=O)CC)cc(-c3cn(C)c4c(=O)[nH]ccc34)cc21
InChIInChI=1S/C31H30N6O3S/c1-4-31(27-10-6-8-14-32-27,28-11-7-9-15-33-28)37-17-13-23-25(35-41(39,40)5-2)18-21(19-26(23)37)24-20-36(3)29-22(24)12-16-34-30(29)38/h6-20,35H,4-5H2,1-3H3,(H,34,38)
InChIKeyDBSKJKYNRNKLDP-UHFFFAOYSA-N
XLogP5.24
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide (CID 155461039) is N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide is CCC(c1ccccn1)(c1ccccn1)n1ccc2c(NS(=O)(=O)CC)cc(-c3cn(C)c4c(=O)[nH]ccc34)cc21.
What is the InChIKey of N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The InChIKey is DBSKJKYNRNKLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O3S/c1-4-31(27-10-6-8-14-32-27,28-11-7-9-15-33-28)37-17-13-23-25(35-41(39,40)5-2)18-21(19-26(23)37)24-20-36(3)29-22(24)12-16-34-30(29)38/h6-20,35H,4-5H2,1-3H3,(H,34,38).
What are the key properties of N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide has a molecular weight of 566.69 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dipyridin-2-ylpropyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155461039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).