6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole

C17H17FN4O2S — CID 91827423

IUPAC6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1
InChIInChI=1S/C17H17FN4O2S/c18-13-2-3-14-15(11-20-16(14)9-13)12-1-4-17(21-10-12)25(23,24)22-7-5-19-6-8-22/h1-4,9-11,19-20H,5-8H2
InChIKeyNGLVQPMFIGBUNR-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.96
Rot. Bonds3

About 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole

6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole (PubChem CID 91827423) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
PubChem CID91827423
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1
InChIInChI=1S/C17H17FN4O2S/c18-13-2-3-14-15(11-20-16(14)9-13)12-1-4-17(21-10-12)25(23,24)22-7-5-19-6-8-22/h1-4,9-11,19-20H,5-8H2
InChIKeyNGLVQPMFIGBUNR-UHFFFAOYSA-N
XLogP1.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 118292950
[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
CID 126583937
6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
CID 118292975
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
CID 126583951
4-(6-fluoro-1H-indol-3-yl)-N-(3-hydroxy-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 126584259
6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
CID 118060605
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 135285771
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 118292934
(3S,4R)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 126584248
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 126584154

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole (CID 91827423) is 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1.
What is the InChIKey of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The InChIKey is NGLVQPMFIGBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-13-2-3-14-15(11-20-16(14)9-13)12-1-4-17(21-10-12)25(23,24)22-7-5-19-6-8-22/h1-4,9-11,19-20H,5-8H2.
What are the key properties of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole has a molecular weight of 360.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 91827423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).