6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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

C124H122N16O15S10 — CID 158437956

IUPAC6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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.CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](C)[C@@H](C)C5)sc34)ccc12.Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.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
InChIInChI=1S/C26H27N3O3S2.C25H25N3O4S2.2C25H25N3O3S2.C23H20N4O2S2/c1-5-16-7-6-12-29(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;1-13-11-28(12-14(13)2)25(30)21-10-18-23(33-21)19(7-8-27-18)31-16-5-6-17-20(9-16)32-15(3)22(17)24(29)26-4;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/h8-11,13-14,16H,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;5-10,13-14H,11-12H2,1-4H3,(H,26,29);5-12H,1-4H3/t16-;15-;14-;13-,14+;/m101../s1
InChIKeyHCLQCMPZARDSEQ-BXKFGIODSA-N
MW2397.11 g/mol
LogP28.45
Rot. Bonds22

About 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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 158437956) has the molecular formula C124H122N16O15S10 and a molecular weight of 2397.11 g/mol. Its IUPAC name is 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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 CID158437956
Molecular FormulaC124H122N16O15S10
Molecular Weight2397.11 g/mol
Exact Mass2394.65
IUPAC Name6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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.CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](C)[C@@H](C)C5)sc34)ccc12.Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.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
InChIInChI=1S/C26H27N3O3S2.C25H25N3O4S2.2C25H25N3O3S2.C23H20N4O2S2/c1-5-16-7-6-12-29(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;1-13-11-28(12-14(13)2)25(30)21-10-18-23(33-21)19(7-8-27-18)31-16-5-6-17-20(9-16)32-15(3)22(17)24(29)26-4;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/h8-11,13-14,16H,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;5-10,13-14H,11-12H2,1-4H3,(H,26,29);5-12H,1-4H3/t16-;15-;14-;13-,14+;/m101../s1
InChIKeyHCLQCMPZARDSEQ-BXKFGIODSA-N
XLogP28.45
TPSA340.23 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.11
LogP ≤ 528.45
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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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

1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4-cyclopropyl-1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;N-[[6-[7-[2-fluoro-4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-(2-fluoro-4-methylphenyl)-3-[3-fluoro-4-[2-[1-methyl-5-(propylaminomethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 160242277
2-Methyl-6-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}benzo[b]thiophene-3-carboxylic acid 3-hydroxypropylamide
CID 20767897
3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide
CID 90778698
N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide);6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
CID 90800952
N,2-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide
CID 91356337
N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide;N,2-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide
CID 91365551
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-(3-hydroxyazetidine-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-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 157249613
N-cyclopropyl-2-methyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide;2-ethyl-N-methyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide;N-methyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-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;N,N,2-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
CID 157355635
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
2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157429711
tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid
CID 157476045
benzyl N-[[2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-propylcarbamate;bis(1-[3-fluoro-4-[2-[1-methyl-5-(propylaminomethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-methylphenyl)propan-2-one);1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methylphenyl)propan-2-one
CID 157666844

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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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 158437956) is 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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.CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](C)[C@@H](C)C5)sc34)ccc12.Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.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.
What is the InChIKey of 6-[2-[(3S,4R)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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 HCLQCMPZARDSEQ-BXKFGIODSA-N. The full InChI is InChI=1S/C26H27N3O3S2.C25H25N3O4S2.2C25H25N3O3S2.C23H20N4O2S2/c1-5-16-7-6-12-29(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;1-13-11-28(12-14(13)2)25(30)21-10-18-23(33-21)19(7-8-27-18)31-16-5-6-17-20(9-16)32-15(3)22(17)24(29)26-4;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/h8-11,13-14,16H,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;5-10,13-14H,11-12H2,1-4H3,(H,26,29);5-12H,1-4H3/t16-;15-;14-;13-,14+;/m101../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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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 2397.11 g/mol, XLogP of 28.45, 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,2-dimethyl-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;N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-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 158437956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).