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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole

C72H69F3N12O6S4 — CID 158587919

About 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole

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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole (PubChem CID 158587919) has the molecular formula C72H69F3N12O6S4 and a molecular weight of 1383.68 g/mol. Its IUPAC name is 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
• PubChem CID: 158587919
• Molecular Formula: C72H69F3N12O6S4
• Molecular Weight: 1383.68 g/mol
• Exact Mass: 1382.43
• IUPAC Name: 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
• SMILES: Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1-c1ccccc1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cccnc32)cnn1-c1ccccc1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21
• InChI: InChI=1S/C25H22F3N3O2S2.C24H24N4O2S.C23H23N5O2S/c1-16-24(34-23(29-16)18-6-4-3-5-7-18)35(32,33)31-15-21(17-10-12-30(2)13-11-17)20-14-19(25(26,27)28)8-9-22(20)31;1-18-24(16-25-28(18)20-8-4-3-5-9-20)31(29,30)27-17-22(19-12-14-26(2)15-13-19)21-10-6-7-11-23(21)27;1-17-22(15-25-28(17)19-7-4-3-5-8-19)31(29,30)27-16-21(18-10-13-26(2)14-11-18)20-9-6-12-24-23(20)27/h3-10,14-15H,11-13H2,1-2H3;3-12,16-17H,13-15H2,1-2H3;3-10,12,15-16H,11,13-14H2,1-2H3
• InChIKey: HUBFBUPITOJYQK-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 188.35 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.68
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?

The IUPAC name of 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole (CID 158587919) is 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole.

What is the SMILES notation for 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?

The canonical SMILES for 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole is Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1-c1ccccc1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cccnc32)cnn1-c1ccccc1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.

What is the InChIKey of 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?

The InChIKey is HUBFBUPITOJYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2S2.C24H24N4O2S.C23H23N5O2S/c1-16-24(34-23(29-16)18-6-4-3-5-7-18)35(32,33)31-15-21(17-10-12-30(2)13-11-17)20-14-19(25(26,27)28)8-9-22(20)31;1-18-24(16-25-28(18)20-8-4-3-5-9-20)31(29,30)27-17-22(19-12-14-26(2)15-13-19)21-10-6-7-11-23(21)27;1-17-22(15-25-28(17)19-7-4-3-5-8-19)31(29,30)27-16-21(18-10-13-26(2)14-11-18)20-9-6-12-24-23(20)27/h3-10,14-15H,11-13H2,1-2H3;3-12,16-17H,13-15H2,1-2H3;3-10,12,15-16H,11,13-14H2,1-2H3.

What are the key properties of 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?

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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole has a molecular weight of 1383.68 g/mol, XLogP of 13.63, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 158587919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).