6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

C101H105N17O14S4 — CID 158345707

About 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 158345707) has the molecular formula C101H105N17O14S4 and a molecular weight of 1909.32 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
• PubChem CID: 158345707
• Molecular Formula: C101H105N17O14S4
• Molecular Weight: 1909.32 g/mol
• Exact Mass: 1907.69
• IUPAC Name: 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
• SMILES: CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)n(C)c5c4)c3s2)C1.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)cc2n1C.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)cc2n1C
• InChI: InChI=1S/2C26H28N4O4S.C25H26N4O4S.C24H23N5O2S/c1-15-23(26(32)28(2)3)18-7-6-16(12-20(18)29(15)4)34-21-8-10-27-19-13-22(35-24(19)21)25(31)30-11-9-17(14-30)33-5;1-15-23(26(33)28(2)3)18-8-7-17(12-20(18)29(15)4)34-21-9-10-27-19-13-22(35-24(19)21)25(32)30-11-5-6-16(30)14-31;1-14-22(25(32)27(2)3)17-6-5-16(11-19(17)28(14)4)33-20-7-9-26-18-12-21(34-23(18)20)24(31)29-10-8-15(30)13-29;1-14-21(24(30)27(2)3)16-7-6-15(12-18(16)29(14)5)31-19-8-9-25-17-13-20(32-22(17)19)23-26-10-11-28(23)4/h6-8,10,12-13,17H,9,11,14H2,1-5H3;7-10,12-13,16,31H,5-6,11,14H2,1-4H3;5-7,9,11-12,15,30H,8,10,13H2,1-4H3;6-13H,1-5H3/t17-;16-;15-;/m101./s1
• InChIKey: GRSBMJAHTOZCRO-SAVDIOCNSA-N
• XLogP: 17.43
• TPSA: 317.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.32
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?

The IUPAC name of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 158345707) is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

What is the SMILES notation for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?

The canonical SMILES for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)n(C)c5c4)c3s2)C1.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)cc2n1C.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)cc2n1C.

What is the InChIKey of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?

The InChIKey is GRSBMJAHTOZCRO-SAVDIOCNSA-N. The full InChI is InChI=1S/2C26H28N4O4S.C25H26N4O4S.C24H23N5O2S/c1-15-23(26(32)28(2)3)18-7-6-16(12-20(18)29(15)4)34-21-8-10-27-19-13-22(35-24(19)21)25(31)30-11-9-17(14-30)33-5;1-15-23(26(33)28(2)3)18-8-7-17(12-20(18)29(15)4)34-21-9-10-27-19-13-22(35-24(19)21)25(32)30-11-5-6-16(30)14-31;1-14-22(25(32)27(2)3)17-6-5-16(11-19(17)28(14)4)33-20-7-9-26-18-12-21(34-23(18)20)24(31)29-10-8-15(30)13-29;1-14-21(24(30)27(2)3)16-7-6-15(12-18(16)29(14)5)31-19-8-9-25-17-13-20(32-22(17)19)23-26-10-11-28(23)4/h6-8,10,12-13,17H,9,11,14H2,1-5H3;7-10,12-13,16,31H,5-6,11,14H2,1-4H3;5-7,9,11-12,15,30H,8,10,13H2,1-4H3;6-13H,1-5H3/t17-;16-;15-;/m101./s1.

What are the key properties of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?

6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 1909.32 g/mol, XLogP of 17.43, 18 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1,2-tetramethylindole-3-carboxamide;N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 158345707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).