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

C17H17FN4O2S — CID 25191491

IUPAC1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C17H17FN4O2S/c18-13-3-1-4-14(11-13)25(23,24)22-12-16(21-9-7-19-8-10-21)17-15(22)5-2-6-20-17/h1-6,11-12,19H,7-10H2
InChIKeyOGKLSAYMXTVFGH-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.82
Rot. Bonds3

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

1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine (PubChem CID 25191491) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
PubChem CID25191491
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C17H17FN4O2S/c18-13-3-1-4-14(11-13)25(23,24)22-12-16(21-9-7-19-8-10-21)17-15(22)5-2-6-20-17/h1-6,11-12,19H,7-10H2
InChIKeyOGKLSAYMXTVFGH-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine (CID 25191491) is 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine is O=S(=O)(c1cccc(F)c1)n1cc(N2CCNCC2)c2ncccc21.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The InChIKey is OGKLSAYMXTVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-13-3-1-4-14(11-13)25(23,24)22-12-16(21-9-7-19-8-10-21)17-15(22)5-2-6-20-17/h1-6,11-12,19H,7-10H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine has a molecular weight of 360.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25191491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).