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

C21H25N3O5S — CID 71616768

IUPACN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-6-7-19(29-15-5-4-10-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)8-9-22-20/h6-9,11-12,15,22-23H,3-5,10,13H2,1-2H3
InChIKeyOWIKIYFYTBPQPO-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.85
Rot. Bonds6

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

N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide (PubChem CID 71616768) 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-(oxan-3-yloxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide
PubChem CID71616768
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-(oxan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-6-7-19(29-15-5-4-10-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)8-9-22-20/h6-9,11-12,15,22-23H,3-5,10,13H2,1-2H3
InChIKeyOWIKIYFYTBPQPO-UHFFFAOYSA-N
XLogP2.85
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

Mivebresib
CID 71600087
6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
N-[3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 71616300
N-[4-(2,4-Difluorophenoxy)-3-(1-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-3-Yl)phenyl]ethanesulfonamide
CID 86287690
N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
CID 139341527
N-[5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
CID 71615944
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]ethanesulfonamide
CID 71616053
4-[5-(dimethylsulfamoylamino)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine
CID 71616054
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-cyclohexyloxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617462
N-[4-(2,4-difluorophenoxy)-3-[2-(3-methoxyprop-1-ynyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 86581538
4-[5-acetamido-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155511096

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide (CID 71616768) is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-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-(oxan-3-yloxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC2CCCOC2)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-(oxan-3-yloxy)phenyl]ethanesulfonamide?
The InChIKey is OWIKIYFYTBPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-6-7-19(29-15-5-4-10-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)8-9-22-20/h6-9,11-12,15,22-23H,3-5,10,13H2,1-2H3.
What are the key properties of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide?
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide has a molecular weight of 431.51 g/mol, XLogP of 2.85, 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-(oxan-3-yloxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 71616768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).