4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole

C17H20N4O3S — CID 126951558

IUPAC4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole
SMILESCn1cc(S(=O)(=O)N2CCC(Oc3cccc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C17H20N4O3S/c1-20-12-14(11-19-20)25(22,23)21-9-6-13(7-10-21)24-17-4-2-3-16-15(17)5-8-18-16/h2-5,8,11-13,18H,6-7,9-10H2,1H3
InChIKeyQTDZTMCAEUITMW-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.13
Rot. Bonds4

About 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole

4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole (PubChem CID 126951558) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole
PubChem CID126951558
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole
SMILESCn1cc(S(=O)(=O)N2CCC(Oc3cccc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C17H20N4O3S/c1-20-12-14(11-19-20)25(22,23)21-9-6-13(7-10-21)24-17-4-2-3-16-15(17)5-8-18-16/h2-5,8,11-13,18H,6-7,9-10H2,1H3
InChIKeyQTDZTMCAEUITMW-UHFFFAOYSA-N
XLogP2.13
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126951772
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
CID 118675975
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole (CID 126951558) is 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole is Cn1cc(S(=O)(=O)N2CCC(Oc3cccc4[nH]ccc34)CC2)cn1.
What is the InChIKey of 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole?
The InChIKey is QTDZTMCAEUITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-20-12-14(11-19-20)25(22,23)21-9-6-13(7-10-21)24-17-4-2-3-16-15(17)5-8-18-16/h2-5,8,11-13,18H,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole?
4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole has a molecular weight of 360.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).