3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole

C19H19F3N4O2S — CID 91289532

IUPAC3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
SMILESCC1CC(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)=CCN1
InChIInChI=1S/C19H19F3N4O2S/c1-12-9-13(7-8-23-12)15-10-26(16-6-4-3-5-14(15)16)29(27,28)17-11-25(2)24-18(17)19(20,21)22/h3-7,10-12,23H,8-9H2,1-2H3
InChIKeyFEEGVHUOQOZTQC-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.40
Rot. Bonds3

About 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole

3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole (PubChem CID 91289532) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole.

Molecular Properties

Compound Name3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
PubChem CID91289532
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
SMILESCC1CC(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)=CCN1
InChIInChI=1S/C19H19F3N4O2S/c1-12-9-13(7-8-23-12)15-10-26(16-6-4-3-5-14(15)16)29(27,28)17-11-25(2)24-18(17)19(20,21)22/h3-7,10-12,23H,8-9H2,1-2H3
InChIKeyFEEGVHUOQOZTQC-UHFFFAOYSA-N
XLogP3.40
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 91492462
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560
1-(benzenesulfonyl)-3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]indole
CID 10091070
5-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole
CID 68717284
1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 24743637
2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane
CID 166304187
4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylisoquinoline
CID 146680920
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
2-chloro-N-[1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4-phenylpyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 90404711
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
CID 11372738
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
CID 160697018
1-methyl-3-(trifluoromethyl)indazole
CID 83446574

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The IUPAC name of 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole (CID 91289532) is 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole.
What is the SMILES notation for 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The canonical SMILES for 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole is CC1CC(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)=CCN1.
What is the InChIKey of 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The InChIKey is FEEGVHUOQOZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-12-9-13(7-8-23-12)15-10-26(16-6-4-3-5-14(15)16)29(27,28)17-11-25(2)24-18(17)19(20,21)22/h3-7,10-12,23H,8-9H2,1-2H3.
What are the key properties of 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole has a molecular weight of 424.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole is sourced from PubChem (CID 91289532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).