N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide

C18H20N4O5S — CID 71617218

IUPACN-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C18H20N4O5S/c1-19-28(24,25)12-7-14(17(21-8-12)27-11-4-6-26-10-11)15-9-22(2)18(23)16-13(15)3-5-20-16/h3,5,7-9,11,19-20H,4,6,10H2,1-2H3
InChIKeyYPEFIORCIUQRSD-UHFFFAOYSA-N
MW404.45 g/mol
LogP1.00
Rot. Bonds5

About N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide

N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide (PubChem CID 71617218) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
PubChem CID71617218
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC NameN-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C18H20N4O5S/c1-19-28(24,25)12-7-14(17(21-8-12)27-11-4-6-26-10-11)15-9-22(2)18(23)16-13(15)3-5-20-16/h3,5,7-9,11,19-20H,4,6,10H2,1-2H3
InChIKeyYPEFIORCIUQRSD-UHFFFAOYSA-N
XLogP1.00
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
CID 71615944
N-[4-cyclohexyloxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617462
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide
CID 71616659
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzenesulfonamide
CID 71616989
1,6-Dihydro-6-methyl-4-[5-(methylsulfonyl)-2-phenoxyphenyl]-7H-pyrrolo[2,3-c]pyridin-7-one
CID 71617219
N-[4-(2,2-dimethylpropoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
CID 89657387
N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341726
6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341727
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide
CID 71616768
2,2,2-trifluoro-N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(tetrahydro-2H-pyran-3-yloxy)phenyl]ethanesulfonamide
CID 71616872
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide
CID 71616874
N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(tetrahydrofuran-3-yloxy)phenyl]ethanesulfonamide
CID 71617336

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide (CID 71617218) is N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide is CNS(=O)(=O)c1cnc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The InChIKey is YPEFIORCIUQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-19-28(24,25)12-7-14(17(21-8-12)27-11-4-6-26-10-11)15-9-22(2)18(23)16-13(15)3-5-20-16/h3,5,7-9,11,19-20H,4,6,10H2,1-2H3.
What are the key properties of N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide has a molecular weight of 404.45 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide is sourced from PubChem (CID 71617218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).