N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide

C20H23N3O5S — CID 71617336

IUPACN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C20H23N3O5S/c1-3-29(25,26)22-13-4-5-18(28-14-7-9-27-12-14)16(10-13)17-11-23(2)20(24)19-15(17)6-8-21-19/h4-6,8,10-11,14,21-22H,3,7,9,12H2,1-2H3
InChIKeyJRTGEOPRWAWWFO-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.46
Rot. Bonds6

About N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide

N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide (PubChem CID 71617336) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide
PubChem CID71617336
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C20H23N3O5S/c1-3-29(25,26)22-13-4-5-18(28-14-7-9-27-12-14)16(10-13)17-11-23(2)20(24)19-15(17)6-8-21-19/h4-6,8,10-11,14,21-22H,3,7,9,12H2,1-2H3
InChIKeyJRTGEOPRWAWWFO-UHFFFAOYSA-N
XLogP2.46
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide (CID 71617336) is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
The InChIKey is JRTGEOPRWAWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-3-29(25,26)22-13-4-5-18(28-14-7-9-27-12-14)16(10-13)17-11-23(2)20(24)19-15(17)6-8-21-19/h4-6,8,10-11,14,21-22H,3,7,9,12H2,1-2H3.
What are the key properties of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 71617336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).