N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide

C31H30N6O3S — CID 155461102

IUPACN-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cn(C)c3c(OC)nccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C31H30N6O3S/c1-5-41(38,39)35-25-18-21(24-20-36(3)29-22(24)12-16-34-30(29)40-4)19-26-23(25)13-17-37(26)31(2,27-10-6-8-14-32-27)28-11-7-9-15-33-28/h6-20,35H,5H2,1-4H3
InChIKeyHGVURKMDCSYQCZ-UHFFFAOYSA-N
MW566.69 g/mol
LogP5.57
Rot. Bonds8

About N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide

N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide (PubChem CID 155461102) has the molecular formula C31H30N6O3S and a molecular weight of 566.69 g/mol. Its IUPAC name is N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
PubChem CID155461102
Molecular FormulaC31H30N6O3S
Molecular Weight566.69 g/mol
Exact Mass566.21
IUPAC NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cn(C)c3c(OC)nccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C31H30N6O3S/c1-5-41(38,39)35-25-18-21(24-20-36(3)29-22(24)12-16-34-30(29)40-4)19-26-23(25)13-17-37(26)31(2,27-10-6-8-14-32-27)28-11-7-9-15-33-28/h6-20,35H,5H2,1-4H3
InChIKeyHGVURKMDCSYQCZ-UHFFFAOYSA-N
XLogP5.57
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide (CID 155461102) is N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cn(C)c3c(OC)nccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The InChIKey is HGVURKMDCSYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O3S/c1-5-41(38,39)35-25-18-21(24-20-36(3)29-22(24)12-16-34-30(29)40-4)19-26-23(25)13-17-37(26)31(2,27-10-6-8-14-32-27)28-11-7-9-15-33-28/h6-20,35H,5H2,1-4H3.
What are the key properties of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide has a molecular weight of 566.69 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155461102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).