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

C19H19F3N4O2S — CID 24743559

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)CC1
InChIInChI=1S/C19H19F3N4O2S/c1-24-9-7-13(8-10-24)15-11-26(16-6-4-3-5-14(15)16)29(27,28)17-12-25(2)23-18(17)19(20,21)22/h3-7,11-12H,8-10H2,1-2H3
InChIKeyZCKYPXFXOCZNEI-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.35
Rot. Bonds3

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

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole (PubChem CID 24743559) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
PubChem CID24743559
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)CC1
InChIInChI=1S/C19H19F3N4O2S/c1-24-9-7-13(8-10-24)15-11-26(16-6-4-3-5-14(15)16)29(27,28)17-12-25(2)23-18(17)19(20,21)22/h3-7,11-12H,8-10H2,1-2H3
InChIKeyZCKYPXFXOCZNEI-UHFFFAOYSA-N
XLogP3.35
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole (CID 24743559) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole is CN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The InChIKey is ZCKYPXFXOCZNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-24-9-7-13(8-10-24)15-11-26(16-6-4-3-5-14(15)16)29(27,28)17-12-25(2)23-18(17)19(20,21)22/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole has a molecular weight of 424.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole is sourced from PubChem (CID 24743559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).