1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

C60H68F4N12O6S3 — CID 159791049

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (PubChem CID 159791049) has the molecular formula C60H68F4N12O6S3 and a molecular weight of 1225.47 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.

Molecular Properties

• Compound Name: 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
• PubChem CID: 159791049
• Molecular Formula: C60H68F4N12O6S3
• Molecular Weight: 1225.47 g/mol
• Exact Mass: 1224.45
• IUPAC Name: 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
• SMILES: CCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cn1.CCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cn1.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c1C
• InChI: InChI=1S/C21H26N4O2S.C20H21F3N4O2S.C19H21FN4O2S/c1-5-24-16(3)21(15(2)22-24)28(26,27)25-14-19(17-10-12-23(4)13-11-17)18-8-6-7-9-20(18)25;1-3-26-12-16(11-24-26)30(28,29)27-13-18(14-6-8-25(2)9-7-14)17-10-15(20(21,22)23)4-5-19(17)27;1-3-23-12-16(11-21-23)27(25,26)24-13-18(14-6-8-22(2)9-7-14)17-10-15(20)4-5-19(17)24/h6-10,14H,5,11-13H2,1-4H3;4-6,10-13H,3,7-9H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3
• InChIKey: NIOHWHFSCWEZON-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 180.39 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.47
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?

The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (CID 159791049) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.

What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?

The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is CCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cn1.CCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cn1.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c1C.

What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?

The InChIKey is NIOHWHFSCWEZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S.C20H21F3N4O2S.C19H21FN4O2S/c1-5-24-16(3)21(15(2)22-24)28(26,27)25-14-19(17-10-12-23(4)13-11-17)18-8-6-7-9-20(18)25;1-3-26-12-16(11-24-26)30(28,29)27-13-18(14-6-8-25(2)9-7-14)17-10-15(20(21,22)23)4-5-19(17)27;1-3-23-12-16(11-21-23)27(25,26)24-13-18(14-6-8-22(2)9-7-14)17-10-15(20)4-5-19(17)24/h6-10,14H,5,11-13H2,1-4H3;4-6,10-13H,3,7-9H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3.

What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole has a molecular weight of 1225.47 g/mol, XLogP of 10.22, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is sourced from PubChem (CID 159791049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).