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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide

C102H104N12O17S8 — CID 158158211

IUPAC6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C1.CO[C@H]1CN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C[C@H]1OC.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C26H27N3O5S2.C26H27N3O4S2.2C25H25N3O4S2/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;1-15-23(26(31)28(2)3)18-8-7-17(12-21(18)34-15)33-20-9-10-27-19-13-22(35-24(19)20)25(30)29-11-5-6-16(29)14-32-4;1-14-22(25(30)27(2)3)17-6-5-15(11-20(17)33-14)32-19-7-9-26-18-12-21(34-23(18)19)24(29)28-10-8-16(13-28)31-4;1-14-22(25(31)27(2)3)17-7-6-16(11-20(17)33-14)32-19-8-9-26-18-12-21(34-23(18)19)24(30)28-10-4-5-15(28)13-29/h6-11,19-20H,12-13H2,1-5H3;7-10,12-13,16H,5-6,11,14H2,1-4H3;5-7,9,11-12,16H,8,10,13H2,1-4H3;6-9,11-12,15,29H,4-5,10,13H2,1-3H3/t19-,20+;2*16-;15-/m.010/s1
InChIKeyFVYKGROSLLZXJZ-WNLFSASOSA-N
MW2026.56 g/mol
LogP20.45
Rot. Bonds22

About 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide (PubChem CID 158158211) has the molecular formula C102H104N12O17S8 and a molecular weight of 2026.56 g/mol. Its IUPAC name is 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide
PubChem CID158158211
Molecular FormulaC102H104N12O17S8
Molecular Weight2026.56 g/mol
Exact Mass2024.54
IUPAC Name6-[2-[(3R,4S)-3,4-dimethoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C1.CO[C@H]1CN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C[C@H]1OC.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C26H27N3O5S2.C26H27N3O4S2.2C25H25N3O4S2/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;1-15-23(26(31)28(2)3)18-8-7-17(12-21(18)34-15)33-20-9-10-27-19-13-22(35-24(19)20)25(30)29-11-5-6-16(29)14-32-4;1-14-22(25(30)27(2)3)17-6-5-15(11-20(17)33-14)32-19-7-9-26-18-12-21(34-23(18)19)24(29)28-10-8-16(13-28)31-4;1-14-22(25(31)27(2)3)17-7-6-16(11-20(17)33-14)32-19-8-9-26-18-12-21(34-23(18)19)24(30)28-10-4-5-15(28)13-29/h6-11,19-20H,12-13H2,1-5H3;7-10,12-13,16H,5-6,11,14H2,1-4H3;5-7,9,11-12,16H,8,10,13H2,1-4H3;6-9,11-12,15,29H,4-5,10,13H2,1-3H3/t19-,20+;2*16-;15-/m.010/s1
InChIKeyFVYKGROSLLZXJZ-WNLFSASOSA-N
XLogP20.45
TPSA308.11 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.56
LogP ≤ 520.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide?
The IUPAC name of 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide (CID 158158211) is 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide.
What is the SMILES notation for 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide?
The canonical SMILES for 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide is COC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.CO[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C1.CO[C@H]1CN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)c(C)sc5c4)c3s2)C[C@H]1OC.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C.
What is the InChIKey of 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide?
The InChIKey is FVYKGROSLLZXJZ-WNLFSASOSA-N. The full InChI is InChI=1S/C26H27N3O5S2.C26H27N3O4S2.2C25H25N3O4S2/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;1-15-23(26(31)28(2)3)18-8-7-17(12-21(18)34-15)33-20-9-10-27-19-13-22(35-24(19)20)25(30)29-11-5-6-16(29)14-32-4;1-14-22(25(30)27(2)3)17-6-5-15(11-20(17)33-14)32-19-7-9-26-18-12-21(34-23(18)19)24(29)28-10-8-16(13-28)31-4;1-14-22(25(31)27(2)3)17-7-6-16(11-20(17)33-14)32-19-8-9-26-18-12-21(34-23(18)19)24(30)28-10-4-5-15(28)13-29/h6-11,19-20H,12-13H2,1-5H3;7-10,12-13,16H,5-6,11,14H2,1-4H3;5-7,9,11-12,16H,8,10,13H2,1-4H3;6-9,11-12,15,29H,4-5,10,13H2,1-3H3/t19-,20+;2*16-;15-/m.010/s1.
What are the key properties of 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide has a molecular weight of 2026.56 g/mol, XLogP of 20.45, 22 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-benzothiophene-3-carboxamide is sourced from PubChem (CID 158158211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).