1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole

C22H15F3N4O2S2 — CID 141171239

IUPAC1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole
SMILESCn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(-c5cccnc5)ccc43)s2)cc1C(F)(F)F
InChIInChI=1S/C22H15F3N4O2S2/c1-28-20(22(23,24)25)12-17(27-28)19-6-7-21(32-19)33(30,31)29-10-8-15-11-14(4-5-18(15)29)16-3-2-9-26-13-16/h2-13H,1H3
InChIKeyJIPYEMJJUGMCRW-UHFFFAOYSA-N
MW488.52 g/mol
LogP5.42
Rot. Bonds4

About 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole

1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole (PubChem CID 141171239) has the molecular formula C22H15F3N4O2S2 and a molecular weight of 488.52 g/mol. Its IUPAC name is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole.

Molecular Properties

Compound Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole
PubChem CID141171239
Molecular FormulaC22H15F3N4O2S2
Molecular Weight488.52 g/mol
Exact Mass488.06
IUPAC Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole
SMILESCn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(-c5cccnc5)ccc43)s2)cc1C(F)(F)F
InChIInChI=1S/C22H15F3N4O2S2/c1-28-20(22(23,24)25)12-17(27-28)19-6-7-21(32-19)33(30,31)29-10-8-15-11-14(4-5-18(15)29)16-3-2-9-26-13-16/h2-13H,1H3
InChIKeyJIPYEMJJUGMCRW-UHFFFAOYSA-N
XLogP5.42
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole with MolForge

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Related Compounds

N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 44534362
3-[1-[2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidin-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 44534364
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 46832515
3-(4-Methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
US11787780, Example 8
CID 164116154
US11787780, Example 10
CID 164116155
US11787780, Example 9
CID 164116156
US11787780, Example 151
CID 166916229
US11787780, Example 152
CID 166916274
US11787780, Example 169
CID 166916649
US11787780, Example 170
CID 166916651
US11787780, Example 173
CID 166916652

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole?
The IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole (CID 141171239) is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole.
What is the SMILES notation for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole?
The canonical SMILES for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole is Cn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(-c5cccnc5)ccc43)s2)cc1C(F)(F)F.
What is the InChIKey of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole?
The InChIKey is JIPYEMJJUGMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2S2/c1-28-20(22(23,24)25)12-17(27-28)19-6-7-21(32-19)33(30,31)29-10-8-15-11-14(4-5-18(15)29)16-3-2-9-26-13-16/h2-13H,1H3.
What are the key properties of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole?
1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole has a molecular weight of 488.52 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole is sourced from PubChem (CID 141171239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).