1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine

C17H16F2N4O2S — CID 25191493

IUPAC1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccc(F)cc1F)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C17H16F2N4O2S/c18-12-3-4-16(13(19)10-12)26(24,25)23-11-15(22-8-6-20-7-9-22)17-14(23)2-1-5-21-17/h1-5,10-11,20H,6-9H2
InChIKeyLDPJRKOVXVIUOP-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.96
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine

1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine (PubChem CID 25191493) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
PubChem CID25191493
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccc(F)cc1F)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C17H16F2N4O2S/c18-12-3-4-16(13(19)10-12)26(24,25)23-11-15(22-8-6-20-7-9-22)17-14(23)2-1-5-21-17/h1-5,10-11,20H,6-9H2
InChIKeyLDPJRKOVXVIUOP-UHFFFAOYSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine 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-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine (CID 25191493) is 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine is O=S(=O)(c1ccc(F)cc1F)n1cc(N2CCNCC2)c2ncccc21.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The InChIKey is LDPJRKOVXVIUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-12-3-4-16(13(19)10-12)26(24,25)23-11-15(22-8-6-20-7-9-22)17-14(23)2-1-5-21-17/h1-5,10-11,20H,6-9H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine has a molecular weight of 378.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25191493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).