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

C56H60F4N12O6S3 — CID 159822648

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

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 159822648) has the molecular formula C56H60F4N12O6S3 and a molecular weight of 1169.37 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

• Compound Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
• PubChem CID: 159822648
• Molecular Formula: C56H60F4N12O6S3
• Molecular Weight: 1169.37 g/mol
• Exact Mass: 1168.39
• IUPAC Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(F)cc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1C
• InChI: InChI=1S/C19H19F3N4O2S.C19H22N4O2S.C18H19FN4O2S/c1-24-7-5-13(6-8-24)17-12-26(29(27,28)15-10-23-25(2)11-15)18-4-3-14(9-16(17)18)19(20,21)22;1-14-19(12-20-22(14)3)26(24,25)23-13-17(15-8-10-21(2)11-9-15)16-6-4-5-7-18(16)23;1-21-7-5-13(6-8-21)17-12-23(18-4-3-14(19)9-16(17)18)26(24,25)15-10-20-22(2)11-15/h3-5,9-12H,6-8H2,1-2H3;4-8,12-13H,9-11H2,1-3H3;3-5,9-12H,6-8H2,1-2H3
• InChIKey: NMLBPNMYFSBCQA-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 180.39 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1169.37
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (CID 159822648) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.

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

The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(F)cc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1C.

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

The InChIKey is NMLBPNMYFSBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S.C19H22N4O2S.C18H19FN4O2S/c1-24-7-5-13(6-8-24)17-12-26(29(27,28)15-10-23-25(2)11-15)18-4-3-14(9-16(17)18)19(20,21)22;1-14-19(12-20-22(14)3)26(24,25)23-13-17(15-8-10-21(2)11-9-15)16-6-4-5-7-18(16)23;1-21-7-5-13(6-8-21)17-12-23(18-4-3-14(19)9-16(17)18)26(24,25)15-10-20-22(2)11-15/h3-5,9-12H,6-8H2,1-2H3;4-8,12-13H,9-11H2,1-3H3;3-5,9-12H,6-8H2,1-2H3.

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

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1169.37 g/mol, XLogP of 8.46, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 159822648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).