6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

C126H127N15O17S10 — CID 158522887

IUPAC6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
SMILESCC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](C)[C@@H](C)C5)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/2C26H27N3O3S2.C25H25N3O4S2.C25H25N3O3S2.C24H23N3O4S2/c1-14-12-29(13-15(14)2)25(30)22-11-19-24(34-22)20(8-9-27-19)32-17-6-7-18-21(10-17)33-16(3)23(18)26(31)28(4)5;1-5-16-7-6-12-29(16)25(30)22-14-19-24(34-22)20(10-11-27-19)32-17-8-9-18-21(13-17)33-15(2)23(18)26(31)28(3)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;1-14-8-10-28(13-14)24(29)21-12-18-23(33-21)19(7-9-26-18)31-16-5-6-17-20(11-16)32-15(2)22(17)25(30)27(3)4;1-13-21(24(30)26(2)3)16-5-4-15(10-19(16)32-13)31-18-6-8-25-17-11-20(33-22(17)18)23(29)27-9-7-14(28)12-27/h6-11,14-15H,12-13H2,1-5H3;8-11,13-14,16H,5-7,12H2,1-4H3;6-9,11-12,15,29H,4-5,10,13H2,1-3H3;5-7,9,11-12,14H,8,10,13H2,1-4H3;4-6,8,10-11,14,28H,7,9,12H2,1-3H3/t14-,15+;16-;15-;2*14-/m.1011/s1
InChIKeyHMKXBMCNANUAJN-GIMUCSMSSA-N
MW2444.16 g/mol
LogP27.60
Rot. Bonds22

About 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (PubChem CID 158522887) has the molecular formula C126H127N15O17S10 and a molecular weight of 2444.16 g/mol. Its IUPAC name is 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
PubChem CID158522887
Molecular FormulaC126H127N15O17S10
Molecular Weight2444.16 g/mol
Exact Mass2441.67
IUPAC Name6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
SMILESCC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](C)[C@@H](C)C5)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/2C26H27N3O3S2.C25H25N3O4S2.C25H25N3O3S2.C24H23N3O4S2/c1-14-12-29(13-15(14)2)25(30)22-11-19-24(34-22)20(8-9-27-19)32-17-6-7-18-21(10-17)33-16(3)23(18)26(31)28(4)5;1-5-16-7-6-12-29(16)25(30)22-14-19-24(34-22)20(10-11-27-19)32-17-8-9-18-21(13-17)33-15(2)23(18)26(31)28(3)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;1-14-8-10-28(13-14)24(29)21-12-18-23(33-21)19(7-9-26-18)31-16-5-6-17-20(11-16)32-15(2)22(17)25(30)27(3)4;1-13-21(24(30)26(2)3)16-5-4-15(10-19(16)32-13)31-18-6-8-25-17-11-20(33-22(17)18)23(29)27-9-7-14(28)12-27/h6-11,14-15H,12-13H2,1-5H3;8-11,13-14,16H,5-7,12H2,1-4H3;6-9,11-12,15,29H,4-5,10,13H2,1-3H3;5-7,9,11-12,14H,8,10,13H2,1-4H3;4-6,8,10-11,14,28H,7,9,12H2,1-3H3/t14-,15+;16-;15-;2*14-/m.1011/s1
InChIKeyHMKXBMCNANUAJN-GIMUCSMSSA-N
XLogP27.60
TPSA354.16 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.16
LogP ≤ 527.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 10436267
6-[(2-{[(3R)-3-Hydroxypyrrolidin-1-yl]carbonyl}thieno[3,2-b]pyridin-7-yl)oxy]-2-methylbenzo[b]thiophene-3-carboxylic acid
CID 20767760
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
CID 59990773
6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
CID 59990774
6-(2-[(S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yloxy)-2-methylbenzo[b]thiophene-3-carboxylic acid methylamide
CID 59990783
6-[(2-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]carbonyl}thieno[3,2-b]pyridin-7-yl)oxy]-2-methylbenzo[b]thiophene-3-carboxylic acid 3-hydroxypropylamide
CID 59990785
6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
CID 59990787
6-[(2-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]carbonyl}thieno[3,2-b]pyridin-7-yl)oxy]-2-methylbenzo[b]thiophene-3-carboxylic acid
CID 59990789
6-(2-[(S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yloxy)-2-methylbenzo[b]thiophene-3-carboxylic acid cyclopropylamide
CID 59990791
6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide
CID 59990793
6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
CID 59990810
2-Ethyl-6-[(2-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}thieno[3,2-b]pyridin-7-yl)oxy]benzo[b]thiophene-3-carboxylic acid methylamide
CID 59990823

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (CID 158522887) is 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is CC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C.Cc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](C)[C@@H](C)C5)sc34)ccc2c1C(=O)N(C)C.
What is the InChIKey of 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The InChIKey is HMKXBMCNANUAJN-GIMUCSMSSA-N. The full InChI is InChI=1S/2C26H27N3O3S2.C25H25N3O4S2.C25H25N3O3S2.C24H23N3O4S2/c1-14-12-29(13-15(14)2)25(30)22-11-19-24(34-22)20(8-9-27-19)32-17-6-7-18-21(10-17)33-16(3)23(18)26(31)28(4)5;1-5-16-7-6-12-29(16)25(30)22-14-19-24(34-22)20(10-11-27-19)32-17-8-9-18-21(13-17)33-15(2)23(18)26(31)28(3)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;1-14-8-10-28(13-14)24(29)21-12-18-23(33-21)19(7-9-26-18)31-16-5-6-17-20(11-16)32-15(2)22(17)25(30)27(3)4;1-13-21(24(30)26(2)3)16-5-4-15(10-19(16)32-13)31-18-6-8-25-17-11-20(33-22(17)18)23(29)27-9-7-14(28)12-27/h6-11,14-15H,12-13H2,1-5H3;8-11,13-14,16H,5-7,12H2,1-4H3;6-9,11-12,15,29H,4-5,10,13H2,1-3H3;5-7,9,11-12,14H,8,10,13H2,1-4H3;4-6,8,10-11,14,28H,7,9,12H2,1-3H3/t14-,15+;16-;15-;2*14-/m.1011/s1.
What are the key properties of 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide has a molecular weight of 2444.16 g/mol, XLogP of 27.60, 22 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 158522887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).