3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole

C20H18F6N4O2S — CID 24743561

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C20H18F6N4O2S/c1-28-7-5-12(6-8-28)15-10-30(16-4-3-13(9-14(15)16)19(21,22)23)33(31,32)17-11-29(2)27-18(17)20(24,25)26/h3-5,9-11H,6-8H2,1-2H3
InChIKeyXDRIUTQRZDSZRR-UHFFFAOYSA-N
MW492.45 g/mol
LogP4.37
Rot. Bonds3

About 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole (PubChem CID 24743561) has the molecular formula C20H18F6N4O2S and a molecular weight of 492.45 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole
PubChem CID24743561
Molecular FormulaC20H18F6N4O2S
Molecular Weight492.45 g/mol
Exact Mass492.11
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C20H18F6N4O2S/c1-28-7-5-12(6-8-28)15-10-30(16-4-3-13(9-14(15)16)19(21,22)23)33(31,32)17-11-29(2)27-18(17)20(24,25)26/h3-5,9-11H,6-8H2,1-2H3
InChIKeyXDRIUTQRZDSZRR-UHFFFAOYSA-N
XLogP4.37
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]sulfonyl-5-(trifluoromethyl)indole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole (CID 24743561) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole?
The InChIKey is XDRIUTQRZDSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N4O2S/c1-28-7-5-12(6-8-28)15-10-30(16-4-3-13(9-14(15)16)19(21,22)23)33(31,32)17-11-29(2)27-18(17)20(24,25)26/h3-5,9-11H,6-8H2,1-2H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 492.45 g/mol, XLogP of 4.37, 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]sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 24743561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).