4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C20H23N3O4S — CID 146326625

IUPAC4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCS(=O)(=O)c1ccc(N2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C20H23N3O4S/c1-3-28(25,26)14-4-5-18(23-8-10-27-11-9-23)16(12-14)17-13-22(2)20(24)19-15(17)6-7-21-19/h4-7,12-13,21H,3,8-11H2,1-2H3
InChIKeyAYUHRIRZFAUTOM-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.16
Rot. Bonds4

About 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 146326625) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID146326625
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCS(=O)(=O)c1ccc(N2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C20H23N3O4S/c1-3-28(25,26)14-4-5-18(23-8-10-27-11-9-23)16(12-14)17-13-22(2)20(24)19-15(17)6-7-21-19/h4-7,12-13,21H,3,8-11H2,1-2H3
InChIKeyAYUHRIRZFAUTOM-UHFFFAOYSA-N
XLogP2.16
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 146326625) is 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is CCS(=O)(=O)c1ccc(N2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is AYUHRIRZFAUTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-28(25,26)14-4-5-18(23-8-10-27-11-9-23)16(12-14)17-13-22(2)20(24)19-15(17)6-7-21-19/h4-7,12-13,21H,3,8-11H2,1-2H3.
What are the key properties of 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 401.49 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 146326625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).