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

C24H25N3O4S — CID 174321687

IUPACN-[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
SMILESCCS(=O)(=O)Nc1ccc(OC2=CC=C(C)CC=C2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C24H25N3O4S/c1-4-32(29,30)26-17-9-11-22(31-18-7-5-6-16(2)8-10-18)20(14-17)21-15-27(3)24(28)23-19(21)12-13-25-23/h5,7-15,25-26H,4,6H2,1-3H3
InChIKeyIGZHYBKUZGUROA-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.46
Rot. Bonds6

About 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

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 (PubChem CID 174321687) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID174321687
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[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
SMILESCCS(=O)(=O)Nc1ccc(OC2=CC=C(C)CC=C2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C24H25N3O4S/c1-4-32(29,30)26-17-9-11-22(31-18-7-5-6-16(2)8-10-18)20(14-17)21-15-27(3)24(28)23-19(21)12-13-25-23/h5,7-15,25-26H,4,6H2,1-3H3
InChIKeyIGZHYBKUZGUROA-UHFFFAOYSA-N
XLogP4.46
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxolan-3-yloxy)phenyl]propane-1-sulfonamide
CID 71617106
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
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-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
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-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
N-[4-(1-adamantylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 139550111
N-[3-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)-4-(4-methylphenoxy)phenyl]ethanesulfonamide
CID 170335458
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
4-[2-[4-[(2,4-dimethylphenyl)methylamino]phenoxy]-5-methylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 86581259
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
4-[2-(4-chloro-2-fluorophenoxy)-5-(ethylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227198

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)Nc1ccc(OC2=CC=C(C)CC=C2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of 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?
The InChIKey is IGZHYBKUZGUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-4-32(29,30)26-17-9-11-22(31-18-7-5-6-16(2)8-10-18)20(14-17)21-15-27(3)24(28)23-19(21)12-13-25-23/h5,7-15,25-26H,4,6H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 451.55 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174321687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).