1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C23H26N4O3S — CID 59259370

IUPAC1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4CCN(C)CC4)c4cccnc43)ccc21
InChIInChI=1S/C23H26N4O3S/c1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27/h3-6,10,14-15,17H,7-9,11-13H2,1-2H3
InChIKeyXOZSWTYDOUDLDI-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.99
Rot. Bonds3

About 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 59259370) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID59259370
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4CCN(C)CC4)c4cccnc43)ccc21
InChIInChI=1S/C23H26N4O3S/c1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27/h3-6,10,14-15,17H,7-9,11-13H2,1-2H3
InChIKeyXOZSWTYDOUDLDI-UHFFFAOYSA-N
XLogP2.99
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 59259370) is 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4CCN(C)CC4)c4cccnc43)ccc21.
What is the InChIKey of 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XOZSWTYDOUDLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27/h3-6,10,14-15,17H,7-9,11-13H2,1-2H3.
What are the key properties of 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 438.55 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 59259370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).