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

C29H26N6O3S — CID 155461111

IUPACN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)c3ccn(C(C)(c4ccccn4)c4ccccn4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36)
InChIKeyYBCHZEMAHSFEIS-UHFFFAOYSA-N
MW538.63 g/mol
LogP4.46
Rot. Bonds6

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

N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide (PubChem CID 155461111) has the molecular formula C29H26N6O3S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
PubChem CID155461111
Molecular FormulaC29H26N6O3S
Molecular Weight538.63 g/mol
Exact Mass538.18
IUPAC NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)c3ccn(C(C)(c4ccccn4)c4ccccn4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36)
InChIKeyYBCHZEMAHSFEIS-UHFFFAOYSA-N
XLogP4.46
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 54.46
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-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide (CID 155461111) is N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide is Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(C(C)(c4ccccn4)c4ccccn4)c3c2)c2cc[nH]c(=O)c21.
What is the InChIKey of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The InChIKey is YBCHZEMAHSFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36).
What are the key properties of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide has a molecular weight of 538.63 g/mol, XLogP of 4.46, 6 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-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide is sourced from PubChem (CID 155461111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).