cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate

C121H133F23N22O16S7 — CID 158573061

IUPACcyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(CC(=O)OC(C)C)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(CC(=O)OCCOC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(Oc4cccc(C)n4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)OCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(Cc4nc(C(C)C)cs4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)CC(C)C)C(F)(F)C3)nc12
InChIInChI=1S/C21H24F3N5OS2.C21H21F3N4O2S.C20H21F6N3O4S.C20H22F5N3O3S.C20H24F3N3O3S.C19H21F3N4O3S/c1-12(2)15-11-31-17(26-15)9-28-4-6-29(7-5-28)16-8-14(21(22,23)24)19-18(27-16)13(10-32-19)20(30)25-3;1-12-4-3-5-17(26-12)30-13-6-8-28(9-7-13)16-10-15(21(22,23)24)19-18(27-16)14(11-31-19)20(29)25-2;1-27-18(31)12-10-34-17-13(19(21,22)23)9-14(28-16(12)17)29-4-2-11(3-5-29)8-15(30)32-6-7-33-20(24,25)26;1-10(2)6-15(29)31-13-4-5-28(9-19(13,21)22)14-7-12(20(23,24)25)17-16(27-14)11(8-32-17)18(30)26-3;1-11(2)29-16(27)8-12-4-6-26(7-5-12)15-9-14(20(21,22)23)18-17(25-15)13(10-30-18)19(28)24-3;1-23-17(27)12-10-30-16-13(19(20,21)22)8-14(24-15(12)16)25-4-6-26(7-5-25)18(28)29-9-11-2-3-11/h8,10-12H,4-7,9H2,1-3H3,(H,25,30);3-5,10-11,13H,6-9H2,1-2H3,(H,25,29);9-11H,2-8H2,1H3,(H,27,31);7-8,10,13H,4-6,9H2,1-3H3,(H,26,30);9-12H,4-8H2,1-3H3,(H,24,28);8,10-11H,2-7,9H2,1H3,(H,23,27)/t;;;13-;;/m...0../s1
InChIKeyHSHYMWYTIQPHBL-YHMBDMJUSA-N
MW2812.96 g/mol
LogP25.42
Rot. Bonds30

About cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate

cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate (PubChem CID 158573061) has the molecular formula C121H133F23N22O16S7 and a molecular weight of 2812.96 g/mol. Its IUPAC name is cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate
PubChem CID158573061
Molecular FormulaC121H133F23N22O16S7
Molecular Weight2812.96 g/mol
Exact Mass2810.79
IUPAC Namecyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(CC(=O)OC(C)C)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(CC(=O)OCCOC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(Oc4cccc(C)n4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)OCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(Cc4nc(C(C)C)cs4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)CC(C)C)C(F)(F)C3)nc12
InChIInChI=1S/C21H24F3N5OS2.C21H21F3N4O2S.C20H21F6N3O4S.C20H22F5N3O3S.C20H24F3N3O3S.C19H21F3N4O3S/c1-12(2)15-11-31-17(26-15)9-28-4-6-29(7-5-28)16-8-14(21(22,23)24)19-18(27-16)13(10-32-19)20(30)25-3;1-12-4-3-5-17(26-12)30-13-6-8-28(9-7-13)16-10-15(21(22,23)24)19-18(27-16)14(11-31-19)20(29)25-2;1-27-18(31)12-10-34-17-13(19(21,22)23)9-14(28-16(12)17)29-4-2-11(3-5-29)8-15(30)32-6-7-33-20(24,25)26;1-10(2)6-15(29)31-13-4-5-28(9-19(13,21)22)14-7-12(20(23,24)25)17-16(27-14)11(8-32-17)18(30)26-3;1-11(2)29-16(27)8-12-4-6-26(7-5-12)15-9-14(20(21,22)23)18-17(25-15)13(10-30-18)19(28)24-3;1-23-17(27)12-10-30-16-13(19(20,21)22)8-14(24-15(12)16)25-4-6-26(7-5-25)18(28)29-9-11-2-3-11/h8,10-12H,4-7,9H2,1-3H3,(H,25,30);3-5,10-11,13H,6-9H2,1-2H3,(H,25,29);9-11H,2-8H2,1H3,(H,27,31);7-8,10,13H,4-6,9H2,1-3H3,(H,26,30);9-12H,4-8H2,1-3H3,(H,24,28);8,10-11H,2-7,9H2,1H3,(H,23,27)/t;;;13-;;/m...0../s1
InChIKeyHSHYMWYTIQPHBL-YHMBDMJUSA-N
XLogP25.42
TPSA427.30 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002812.96
LogP ≤ 525.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate with MolForge

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Related Compounds

CID 157825209
CID 157825209
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;2,2,2-trifluoroacetic acid;2-(trifluoromethoxy)ethyl (3S,4R)-3-fluoro-4-[6-methyl-3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxypiperidine-1-carboxylate;2-(trifluoromethoxy)ethyl (2R,4R)-2-methyl-4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxypiperidine-1-carboxylate;2-(trifluoromethoxy)ethyl 4-[6-methyl-3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxypiperidine-1-carboxylate
CID 158369727
CID 160219816
CID 160219816
1-cyanopropan-2-yl 6-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;5-[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;2-(trifluoromethoxy)ethyl 6-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]-2-azaspiro[3.3]heptane-2-carboxylate;2-(trifluoromethoxy)ethyl 4-[[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]methyl]piperidine-1-carboxylate;2-(trifluoromethoxy)ethyl 3-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxyazetidine-1-carboxylate;[(2S)-1-(trifluoromethoxy)propan-2-yl] 6-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 160231385
[1-[6-fluoro-3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[1-[6-methyl-3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;2-(trifluoromethoxy)ethyl (3S,4R)-3-fluoro-4-[6-methyl-3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxypiperidine-1-carboxylate;2-(trifluoromethoxy)ethyl (2R,4R)-2-methyl-4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxypiperidine-1-carboxylate;2-(trifluoromethoxy)ethyl 4-[6-methyl-3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]oxypiperidine-1-carboxylate
CID 161435967
3-amino-6-ethoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(ethylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(propan-2-ylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 157222938
3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 158202178
3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 159671566
3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 160275851
bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 161498591
3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-(difluoromethyl)-4-ethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-(difluoromethyl)-4-ethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167581209

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate?
The IUPAC name of cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate (CID 158573061) is cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate.
What is the SMILES notation for cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate?
The canonical SMILES for cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(CC(=O)OC(C)C)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(CC(=O)OCCOC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(Oc4cccc(C)n4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)OCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(Cc4nc(C(C)C)cs4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)CC(C)C)C(F)(F)C3)nc12.
What is the InChIKey of cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate?
The InChIKey is HSHYMWYTIQPHBL-YHMBDMJUSA-N. The full InChI is InChI=1S/C21H24F3N5OS2.C21H21F3N4O2S.C20H21F6N3O4S.C20H22F5N3O3S.C20H24F3N3O3S.C19H21F3N4O3S/c1-12(2)15-11-31-17(26-15)9-28-4-6-29(7-5-28)16-8-14(21(22,23)24)19-18(27-16)13(10-32-19)20(30)25-3;1-12-4-3-5-17(26-12)30-13-6-8-28(9-7-13)16-10-15(21(22,23)24)19-18(27-16)14(11-31-19)20(29)25-2;1-27-18(31)12-10-34-17-13(19(21,22)23)9-14(28-16(12)17)29-4-2-11(3-5-29)8-15(30)32-6-7-33-20(24,25)26;1-10(2)6-15(29)31-13-4-5-28(9-19(13,21)22)14-7-12(20(23,24)25)17-16(27-14)11(8-32-17)18(30)26-3;1-11(2)29-16(27)8-12-4-6-26(7-5-12)15-9-14(20(21,22)23)18-17(25-15)13(10-30-18)19(28)24-3;1-23-17(27)12-10-30-16-13(19(20,21)22)8-14(24-15(12)16)25-4-6-26(7-5-25)18(28)29-9-11-2-3-11/h8,10-12H,4-7,9H2,1-3H3,(H,25,30);3-5,10-11,13H,6-9H2,1-2H3,(H,25,29);9-11H,2-8H2,1H3,(H,27,31);7-8,10,13H,4-6,9H2,1-3H3,(H,26,30);9-12H,4-8H2,1-3H3,(H,24,28);8,10-11H,2-7,9H2,1H3,(H,23,27)/t;;;13-;;/m...0../s1.
What are the key properties of cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate?
cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate has a molecular weight of 2812.96 g/mol, XLogP of 25.42, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazine-1-carboxylate;[(4S)-3,3-difluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;N-methyl-5-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;N-methyl-5-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide;propan-2-yl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate;2-(trifluoromethoxy)ethyl 2-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]acetate is sourced from PubChem (CID 158573061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).