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

C71H66F4N10O6S4 — CID 158266996

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

1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 158266996) has the molecular formula C71H66F4N10O6S4 and a molecular weight of 1359.63 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

• Compound Name: 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
• PubChem CID: 158266996
• Molecular Formula: C71H66F4N10O6S4
• Molecular Weight: 1359.63 g/mol
• Exact Mass: 1358.40
• IUPAC Name: 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccccc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cnn1-c1ccccc1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1-c1ccccc1
• InChI: InChI=1S/C25H23F3N4O2S.C24H23FN4O2S.C22H20N2O2S2/c1-17-24(15-29-32(17)20-6-4-3-5-7-20)35(33,34)31-16-22(18-10-12-30(2)13-11-18)21-14-19(25(26,27)28)8-9-23(21)31;1-17-24(15-26-29(17)20-6-4-3-5-7-20)32(30,31)28-16-22(18-10-12-27(2)13-11-18)21-14-19(25)8-9-23(21)28;1-23-12-10-16(11-13-23)19-15-24(20-8-4-3-7-18(19)20)28(25,26)22-14-17-6-2-5-9-21(17)27-22/h3-10,14-16H,11-13H2,1-2H3;3-10,14-16H,11-13H2,1-2H3;2-10,14-15H,11-13H2,1H3
• InChIKey: GIONXKWWMDSDBU-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 162.57 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.63
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (CID 158266996) is 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.

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

The canonical SMILES for 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccccc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cnn1-c1ccccc1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1-c1ccccc1.

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

The InChIKey is GIONXKWWMDSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2S.C24H23FN4O2S.C22H20N2O2S2/c1-17-24(15-29-32(17)20-6-4-3-5-7-20)35(33,34)31-16-22(18-10-12-30(2)13-11-18)21-14-19(25(26,27)28)8-9-23(21)31;1-17-24(15-26-29(17)20-6-4-3-5-7-20)32(30,31)28-16-22(18-10-12-27(2)13-11-18)21-14-19(25)8-9-23(21)28;1-23-12-10-16(11-13-23)19-15-24(20-8-4-3-7-18(19)20)28(25,26)22-14-17-6-2-5-9-21(17)27-22/h3-10,14-16H,11-13H2,1-2H3;3-10,14-16H,11-13H2,1-2H3;2-10,14-15H,11-13H2,1H3.

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

1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1359.63 g/mol, XLogP of 14.15, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 158266996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).