1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine

C17H16F2N4O2S — CID 25191494

IUPAC1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1cc(F)ccc1F)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C17H16F2N4O2S/c18-12-3-4-13(19)16(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
InChIKeyVMFDTIXBWADLDQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.96
Rot. Bonds3

About 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine

1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine (PubChem CID 25191494) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
PubChem CID25191494
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1cc(F)ccc1F)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C17H16F2N4O2S/c18-12-3-4-13(19)16(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
InChIKeyVMFDTIXBWADLDQ-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

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Related Compounds

VU0255035
CID 24768606
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
11-(3-Fluorophenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53303985
US9974785, Example 2
CID 118654422
US9974785, Example 5
CID 118654426
2-Ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720397
1-(Phenylsulfonyl)-4-azaindole
CID 45270766
4-(4-(piperazin-1-yl)-1H-indol-1-ylsulfonyl)benzenamine
CID 11566597
4-Piperazin-1-yl-1-pyridin-2-ylsulfonylindole
CID 44403297
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 162657540
1-(3-Fluorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 168285508

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine (CID 25191494) is 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine is O=S(=O)(c1cc(F)ccc1F)n1cc(N2CCNCC2)c2ncccc21.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
The InChIKey is VMFDTIXBWADLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-12-3-4-13(19)16(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-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine?
1-(2,5-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-(2,5-difluorophenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25191494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).