2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide

C100H100N14O17S4 — CID 160776162

About 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide

2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 160776162) has the molecular formula C100H100N14O17S4 and a molecular weight of 1898.25 g/mol. Its IUPAC name is 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
• PubChem CID: 160776162
• Molecular Formula: C100H100N14O17S4
• Molecular Weight: 1898.25 g/mol
• Exact Mass: 1896.63
• IUPAC Name: 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
• SMILES: CCc1oc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](OC)C5)sc34)ccc2c1C(=O)NC.CNC(=O)c1c(C(C)C)oc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](OC)C5)sc34)ccc12.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)cc2n1C.Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C
• InChI: InChI=1S/C26H28N4O4S.C26H27N3O5S.C25H25N3O5S.C23H20N4O3S/c1-15-23(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(2)23-22(25(30)27-3)17-6-5-15(11-20(17)34-23)33-19-7-9-28-18-12-21(35-24(18)19)26(31)29-10-8-16(13-29)32-4;1-4-18-22(24(29)26-2)16-6-5-14(11-20(16)33-18)32-19-7-9-27-17-12-21(34-23(17)19)25(30)28-10-8-15(13-28)31-3;1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)29-13)30-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h7-10,12-13,16,31H,5-6,11,14H2,1-4H3;5-7,9,11-12,14,16H,8,10,13H2,1-4H3,(H,27,30);5-7,9,11-12,15H,4,8,10,13H2,1-3H3,(H,26,29);5-12H,1-4H3/t2*16-;15-;/m011./s1
• InChIKey: RZYXRBOWZANERG-TUYGOYLESA-N
• XLogP: 19.23
• TPSA: 349.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.25
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?

The IUPAC name of 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide (CID 160776162) is 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide is CCc1oc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](OC)C5)sc34)ccc2c1C(=O)NC.CNC(=O)c1c(C(C)C)oc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](OC)C5)sc34)ccc12.Cc1c(C(=O)N(C)C)c2ccc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)cc2n1C.Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.

What is the InChIKey of 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?

The InChIKey is RZYXRBOWZANERG-TUYGOYLESA-N. The full InChI is InChI=1S/C26H28N4O4S.C26H27N3O5S.C25H25N3O5S.C23H20N4O3S/c1-15-23(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(2)23-22(25(30)27-3)17-6-5-15(11-20(17)34-23)33-19-7-9-28-18-12-21(35-24(18)19)26(31)29-10-8-16(13-29)32-4;1-4-18-22(24(29)26-2)16-6-5-14(11-20(16)33-18)32-19-7-9-27-17-12-21(34-23(17)19)25(30)28-10-8-15(13-28)31-3;1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)29-13)30-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h7-10,12-13,16,31H,5-6,11,14H2,1-4H3;5-7,9,11-12,14,16H,8,10,13H2,1-4H3,(H,27,30);5-7,9,11-12,15H,4,8,10,13H2,1-3H3,(H,26,29);5-12H,1-4H3/t2*16-;15-;/m011./s1.

What are the key properties of 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?

2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 1898.25 g/mol, XLogP of 19.23, 21 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-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-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 160776162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).