N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

C99H95N13O16S8 — CID 157358368

About N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (PubChem CID 157358368) has the molecular formula C99H95N13O16S8 and a molecular weight of 1979.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
• PubChem CID: 157358368
• Molecular Formula: C99H95N13O16S8
• Molecular Weight: 1979.46 g/mol
• Exact Mass: 1977.48
• IUPAC Name: N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
• SMILES: CO[C@H]1CN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C[C@H]1OC.Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)NC1CC1.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](O)[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C
• InChI: InChI=1S/C26H27N3O5S2.C26H25N3O4S2.C24H23N3O5S2.C23H20N4O2S2/c1-14-23(26(31)28(2)3)16-7-6-15(10-21(16)35-14)34-18-8-9-27-17-11-22(36-24(17)18)25(30)29-12-19(32-4)20(13-29)33-5;1-14-23(25(31)28-15-4-5-15)18-7-6-17(11-21(18)34-14)33-20-8-9-27-19-12-22(35-24(19)20)26(32)29-10-2-3-16(29)13-30;1-12-21(24(31)26(2)3)14-5-4-13(8-19(14)33-12)32-18-6-7-25-15-9-20(34-22(15)18)23(30)27-10-16(28)17(29)11-27;1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)30-13)29-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h6-11,19-20H,12-13H2,1-5H3;6-9,11-12,15-16,30H,2-5,10,13H2,1H3,(H,28,31);4-9,16-17,28-29H,10-11H2,1-3H3;5-12H,1-4H3/t19-,20+;16-;16-,17+;/m.0../s1
• InChIKey: BIIUVTVRVMDMIO-SRJFDIBKSA-N
• XLogP: 19.11
• TPSA: 336.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.46
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (CID 157358368) is N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is CO[C@H]1CN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C[C@H]1OC.Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)NC1CC1.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](O)[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C.

What is the InChIKey of N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The InChIKey is BIIUVTVRVMDMIO-SRJFDIBKSA-N. The full InChI is InChI=1S/C26H27N3O5S2.C26H25N3O4S2.C24H23N3O5S2.C23H20N4O2S2/c1-14-23(26(31)28(2)3)16-7-6-15(10-21(16)35-14)34-18-8-9-27-17-11-22(36-24(17)18)25(30)29-12-19(32-4)20(13-29)33-5;1-14-23(25(31)28-15-4-5-15)18-7-6-17(11-21(18)34-14)33-20-8-9-27-19-12-22(35-24(19)20)26(32)29-10-2-3-16(29)13-30;1-12-21(24(31)26(2)3)14-5-4-13(8-19(14)33-12)32-18-6-7-25-15-9-20(34-22(15)18)23(30)27-10-16(28)17(29)11-27;1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)30-13)29-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h6-11,19-20H,12-13H2,1-5H3;6-9,11-12,15-16,30H,2-5,10,13H2,1H3,(H,28,31);4-9,16-17,28-29H,10-11H2,1-3H3;5-12H,1-4H3/t19-,20+;16-;16-,17+;/m.0../s1.

What are the key properties of N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide has a molecular weight of 1979.46 g/mol, XLogP of 19.11, 20 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 157358368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).