1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide

C71H77F3N10O7S3 — CID 158678300

About 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide

1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide (PubChem CID 158678300) has the molecular formula C71H77F3N10O7S3 and a molecular weight of 1335.65 g/mol. Its IUPAC name is 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

• Compound Name: 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide
• PubChem CID: 158678300
• Molecular Formula: C71H77F3N10O7S3
• Molecular Weight: 1335.65 g/mol
• Exact Mass: 1334.51
• IUPAC Name: 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide
• SMILES: CC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cc1.CCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)cc21.CCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cc21
• InChI: InChI=1S/C25H26F3N3O2S.C23H26N4O2S.C23H25N3O3S/c1-3-30-13-10-18-4-6-20(15-24(18)30)34(32,33)31-16-22(17-8-11-29(2)12-9-17)21-14-19(25(26,27)28)5-7-23(21)31;1-3-26-14-10-18-6-7-19(15-22(18)26)30(28,29)27-16-21(17-8-12-25(2)13-9-17)20-5-4-11-24-23(20)27;1-17(27)25(3)19-8-10-20(11-9-19)30(28,29)26-16-22(18-12-14-24(2)15-13-18)21-6-4-5-7-23(21)26/h4-8,14-16H,3,9-13H2,1-2H3;4-8,11,15-16H,3,9-10,12-14H2,1-2H3;4-12,16H,13-15H2,1-3H3
• InChIKey: IEUKPVYZIVRWLK-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 166.61 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.65
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide?

The IUPAC name of 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide (CID 158678300) is 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide.

What is the SMILES notation for 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide?

The canonical SMILES for 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide is CC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cc1.CCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)cc21.CCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cc21.

What is the InChIKey of 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide?

The InChIKey is IEUKPVYZIVRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S.C23H26N4O2S.C23H25N3O3S/c1-3-30-13-10-18-4-6-20(15-24(18)30)34(32,33)31-16-22(17-8-11-29(2)12-9-17)21-14-19(25(26,27)28)5-7-23(21)31;1-3-26-14-10-18-6-7-19(15-22(18)26)30(28,29)27-16-21(17-8-12-25(2)13-9-17)20-5-4-11-24-23(20)27;1-17(27)25(3)19-8-10-20(11-9-19)30(28,29)26-16-22(18-12-14-24(2)15-13-18)21-6-4-5-7-23(21)26/h4-8,14-16H,3,9-13H2,1-2H3;4-8,11,15-16H,3,9-10,12-14H2,1-2H3;4-12,16H,13-15H2,1-3H3.

What are the key properties of 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide?

1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 1335.65 g/mol, XLogP of 11.95, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 158678300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).