N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

C120H111N17O18S8 — CID 158127635

About N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (PubChem CID 158127635) has the molecular formula C120H111N17O18S8 and a molecular weight of 2335.84 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
• PubChem CID: 158127635
• Molecular Formula: C120H111N17O18S8
• Molecular Weight: 2335.84 g/mol
• Exact Mass: 2333.61
• IUPAC Name: N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
• SMILES: CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)oc5c4)c3s2)C1.CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)c(C)sc5c4)c3s2)C1.Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(-c5ccnn5C)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C5)sc34)ccc2c1C(=O)N(C)C
• InChI: InChI=1S/C26H25N3O4S2.C25H25N3O5S.C23H20N4O3S.C23H20N4O2S2.C23H21N3O4S2/c1-14-23(25(30)28-15-3-4-15)18-6-5-16(11-21(18)34-14)33-20-7-9-27-19-12-22(35-24(19)20)26(31)29-10-8-17(13-29)32-2;1-14-22(25(30)27(2)3)17-6-5-15(11-20(17)32-14)33-19-7-9-26-18-12-21(34-23(18)19)24(29)28-10-8-16(13-28)31-4;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;1-13-21(23(28)26(2)3)15-6-5-14(11-19(15)30-13)29-18-8-9-24-16-12-20(31-22(16)18)17-7-10-25-27(17)4;1-12-20(23(29)25(2)3)15-5-4-14(8-18(15)31-12)30-17-6-7-24-16-9-19(32-21(16)17)22(28)26-10-13(27)11-26/h5-7,9,11-12,15,17H,3-4,8,10,13H2,1-2H3,(H,28,30);5-7,9,11-12,16H,8,10,13H2,1-4H3;2*5-12H,1-4H3;4-9,13,27H,10-11H2,1-3H3/t17-;16-;;;/m11.../s1
• InChIKey: FSJMYJLPTYPGHM-YIKPYFLFSA-N
• XLogP: 25.16
• TPSA: 382.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.84
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (CID 158127635) is N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)oc5c4)c3s2)C1.CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)c(C)sc5c4)c3s2)C1.Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(-c5ccnn5C)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C5)sc34)ccc2c1C(=O)N(C)C.

What is the InChIKey of N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The InChIKey is FSJMYJLPTYPGHM-YIKPYFLFSA-N. The full InChI is InChI=1S/C26H25N3O4S2.C25H25N3O5S.C23H20N4O3S.C23H20N4O2S2.C23H21N3O4S2/c1-14-23(25(30)28-15-3-4-15)18-6-5-16(11-21(18)34-14)33-20-7-9-27-19-12-22(35-24(19)20)26(31)29-10-8-17(13-29)32-2;1-14-22(25(30)27(2)3)17-6-5-15(11-20(17)32-14)33-19-7-9-26-18-12-21(34-23(18)19)24(29)28-10-8-16(13-28)31-4;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;1-13-21(23(28)26(2)3)15-6-5-14(11-19(15)30-13)29-18-8-9-24-16-12-20(31-22(16)18)17-7-10-25-27(17)4;1-12-20(23(29)25(2)3)15-5-4-14(8-18(15)31-12)30-17-6-7-24-16-9-19(32-21(16)17)22(28)26-10-13(27)11-26/h5-7,9,11-12,15,17H,3-4,8,10,13H2,1-2H3,(H,28,30);5-7,9,11-12,16H,8,10,13H2,1-4H3;2*5-12H,1-4H3;4-9,13,27H,10-11H2,1-3H3/t17-;16-;;;/m11.../s1.

What are the key properties of N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide has a molecular weight of 2335.84 g/mol, XLogP of 25.16, 23 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-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;N,N,2-trimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 158127635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).