6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole

C17H16F4N4O2S — CID 118060605

IUPAC6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
SMILESO=S(=O)(N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1)C(F)(F)F
InChIInChI=1S/C17H16F4N4O2S/c18-12-1-2-14-15(9-22-16(14)7-12)11-8-23-25(10-11)13-3-5-24(6-4-13)28(26,27)17(19,20)21/h1-2,7-10,13,22H,3-6H2
InChIKeyXTHIVTNKFPZTQE-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.66
Rot. Bonds3

About 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole

6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole (PubChem CID 118060605) has the molecular formula C17H16F4N4O2S and a molecular weight of 416.40 g/mol. Its IUPAC name is 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
PubChem CID118060605
Molecular FormulaC17H16F4N4O2S
Molecular Weight416.40 g/mol
Exact Mass416.09
IUPAC Name6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
SMILESO=S(=O)(N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1)C(F)(F)F
InChIInChI=1S/C17H16F4N4O2S/c18-12-1-2-14-15(9-22-16(14)7-12)11-8-23-25(10-11)13-3-5-24(6-4-13)28(26,27)17(19,20)21/h1-2,7-10,13,22H,3-6H2
InChIKeyXTHIVTNKFPZTQE-UHFFFAOYSA-N
XLogP3.66
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane
CID 158907003
2-amino-1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;methane
CID 158576212
6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
CID 118060455
1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760577
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
CID 126583951
6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060550
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423
1-[4-[4-(6-fluoro-1H-indol-3-yl)-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 118060130
3-[3,5-dimethyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-6-fluoro-1H-indole;6-fluoro-3-[1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazol-4-yl]-1H-indole
CID 161239350
tert-butyl 4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118382763

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole (CID 118060605) is 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole is O=S(=O)(N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1)C(F)(F)F.
What is the InChIKey of 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole?
The InChIKey is XTHIVTNKFPZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O2S/c18-12-1-2-14-15(9-22-16(14)7-12)11-8-23-25(10-11)13-3-5-24(6-4-13)28(26,27)17(19,20)21/h1-2,7-10,13,22H,3-6H2.
What are the key properties of 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole?
6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole has a molecular weight of 416.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 118060605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).