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

C21H25N3O5S — CID 71617106

IUPACN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C21H25N3O5S/c1-3-10-30(26,27)23-14-4-5-19(29-15-7-9-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)6-8-22-20/h4-6,8,11-12,15,22-23H,3,7,9-10,13H2,1-2H3
InChIKeyPYJGJQOFSIAPKN-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.85
Rot. Bonds7

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

N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide (PubChem CID 71617106) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 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]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide
PubChem CID71617106
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C21H25N3O5S/c1-3-10-30(26,27)23-14-4-5-19(29-15-7-9-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)6-8-22-20/h4-6,8,11-12,15,22-23H,3,7,9-10,13H2,1-2H3
InChIKeyPYJGJQOFSIAPKN-UHFFFAOYSA-N
XLogP2.85
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.85
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]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617461
N-[4-(2-azaspiro[3.3]heptan-2-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]butane-1-sulfonamide
CID 153396332
N-[4-(4-methylcyclohepta-1,3,6-trien-1-yl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
CID 174321687
N-[4-[2-fluoro-3-(3-piperidin-4-yloxypropyl)phenoxy]-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
CID 171082378
CID 175016122
CID 175016122
4-[5-(cyclobutylsulfonimidoyl)-2-(4,4-difluorocyclohexyl)oxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227134
N-[4-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 139549556
tert-butyl 4-[2-[4-[4-(3-chloropropylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]phenyl]ethyl]piperidine-1-carboxylate
CID 171081994
N-[4-(1-adamantylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 139550111
[3-[2-[4-(methanesulfonamido)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]ethyl]-9-bicyclo[3.3.1]nonanyl] dihydrogen phosphate
CID 139549735
4-[2-(cyclohexylamino)-5-(methylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227144
N-[4-cyclopropyloxy-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethenesulfonamide
CID 146575873

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]propane-1-sulfonamide?
The IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide (CID 71617106) is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide.
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]propane-1-sulfonamide?
The canonical SMILES for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide is CCCS(=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]propane-1-sulfonamide?
The InChIKey is PYJGJQOFSIAPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-3-10-30(26,27)23-14-4-5-19(29-15-7-9-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)6-8-22-20/h4-6,8,11-12,15,22-23H,3,7,9-10,13H2,1-2H3.
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]propane-1-sulfonamide?
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide has a molecular weight of 431.51 g/mol, XLogP of 2.85, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 71617106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).