[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

C145H160F33N21O27S7 — CID 161435967

IUPAC[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
SMILESCNC(=O)c1csc2c(C(F)(F)F)c(C)c(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(C)c(OC3CCN(C(=O)OCCOC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(C)c(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)C[C@@H]3F)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(F)c(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)CC(C)C)[C@@H](F)C3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)[C@H](C)C3)nc12
InChIInChI=1S/C23H28F3N3O3S.C22H25F4N3O3S.C20H20F7N3O5S.2C20H21F6N3O5S.C20H23F4N3O3S.C20H22F3N3O3S/c1-12(14-4-5-14)10-17(30)32-15-6-8-29(9-7-15)21-13(2)18(23(24,25)26)20-19(28-21)16(11-33-20)22(31)27-3;1-11(12-3-4-12)9-15(30)32-13-5-7-29(8-6-13)20-17(23)16(22(24,25)26)19-18(28-20)14(10-33-19)21(31)27-2;1-9-13(19(22,23)24)15-14(10(8-36-15)16(31)28-2)29-17(9)35-12-3-4-30(7-11(12)21)18(32)33-5-6-34-20(25,26)27;1-10-13(19(21,22)23)15-14(12(9-35-15)16(30)27-2)28-17(10)34-11-3-5-29(6-4-11)18(31)32-7-8-33-20(24,25)26;1-10-7-11(3-4-29(10)18(31)32-5-6-33-20(24,25)26)34-14-8-13(19(21,22)23)16-15(28-14)12(9-35-16)17(30)27-2;1-10(2)6-16(28)30-14-4-5-27(8-13(14)21)15-7-12(20(22,23)24)18-17(26-15)11(9-31-18)19(29)25-3;1-24-19(28)13-10-30-18-14(20(21,22)23)9-15(25-17(13)18)26-6-4-12(5-7-26)29-16(27)8-11-2-3-11/h11-12,14-15H,4-10H2,1-3H3,(H,27,31);10-13H,3-9H2,1-2H3,(H,27,31);8,11-12H,3-7H2,1-2H3,(H,28,31);9,11H,3-8H2,1-2H3,(H,27,30);8-11H,3-7H2,1-2H3,(H,27,30);7,9-10,13-14H,4-6,8H2,1-3H3,(H,25,29);9-12H,2-8H2,1H3,(H,24,28)/t12-;11-;11-,12+;;10-,11-;13-,14-;/m110.10./s1
InChIKeyVYQPUPKCTLMNGI-GZGRNXTHSA-N
MW3480.40 g/mol
LogP31.39
Rot. Bonds40

About [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

[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 (PubChem CID 161435967) has the molecular formula C145H160F33N21O27S7 and a molecular weight of 3480.40 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161435967
Molecular FormulaC145H160F33N21O27S7
Molecular Weight3480.40 g/mol
Exact Mass3477.93
IUPAC Name[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
SMILESCNC(=O)c1csc2c(C(F)(F)F)c(C)c(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(C)c(OC3CCN(C(=O)OCCOC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(C)c(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)C[C@@H]3F)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(F)c(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)CC(C)C)[C@@H](F)C3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)[C@H](C)C3)nc12
InChIInChI=1S/C23H28F3N3O3S.C22H25F4N3O3S.C20H20F7N3O5S.2C20H21F6N3O5S.C20H23F4N3O3S.C20H22F3N3O3S/c1-12(14-4-5-14)10-17(30)32-15-6-8-29(9-7-15)21-13(2)18(23(24,25)26)20-19(28-21)16(11-33-20)22(31)27-3;1-11(12-3-4-12)9-15(30)32-13-5-7-29(8-6-13)20-17(23)16(22(24,25)26)19-18(28-20)14(10-33-19)21(31)27-2;1-9-13(19(22,23)24)15-14(10(8-36-15)16(31)28-2)29-17(9)35-12-3-4-30(7-11(12)21)18(32)33-5-6-34-20(25,26)27;1-10-13(19(21,22)23)15-14(12(9-35-15)16(30)27-2)28-17(10)34-11-3-5-29(6-4-11)18(31)32-7-8-33-20(24,25)26;1-10-7-11(3-4-29(10)18(31)32-5-6-33-20(24,25)26)34-14-8-13(19(21,22)23)16-15(28-14)12(9-35-16)17(30)27-2;1-10(2)6-16(28)30-14-4-5-27(8-13(14)21)15-7-12(20(22,23)24)18-17(26-15)11(9-31-18)19(29)25-3;1-24-19(28)13-10-30-18-14(20(21,22)23)9-15(25-17(13)18)26-6-4-12(5-7-26)29-16(27)8-11-2-3-11/h11-12,14-15H,4-10H2,1-3H3,(H,27,31);10-13H,3-9H2,1-2H3,(H,27,31);8,11-12H,3-7H2,1-2H3,(H,28,31);9,11H,3-8H2,1-2H3,(H,27,30);8-11H,3-7H2,1-2H3,(H,27,30);7,9-10,13-14H,4-6,8H2,1-3H3,(H,25,29);9-12H,2-8H2,1H3,(H,24,28)/t12-;11-;11-,12+;;10-,11-;13-,14-;/m110.10./s1
InChIKeyVYQPUPKCTLMNGI-GZGRNXTHSA-N
XLogP31.39
TPSA556.09 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds40
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003480.40
LogP ≤ 531.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CNC(=O)c1csc2c(C(F)(F)F)c(C)c(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(C)c(OC3CCN(C(=O)OCCOC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(C)c(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)C[C@@H]3F)nc12.CNC(=O)c1csc2c(C(F)(F)F)c(F)c(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)CC(C)C)[C@@H](F)C3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)[C@H](C)C3)nc12.
What is the InChIKey of [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?
The InChIKey is VYQPUPKCTLMNGI-GZGRNXTHSA-N. The full InChI is InChI=1S/C23H28F3N3O3S.C22H25F4N3O3S.C20H20F7N3O5S.2C20H21F6N3O5S.C20H23F4N3O3S.C20H22F3N3O3S/c1-12(14-4-5-14)10-17(30)32-15-6-8-29(9-7-15)21-13(2)18(23(24,25)26)20-19(28-21)16(11-33-20)22(31)27-3;1-11(12-3-4-12)9-15(30)32-13-5-7-29(8-6-13)20-17(23)16(22(24,25)26)19-18(28-20)14(10-33-19)21(31)27-2;1-9-13(19(22,23)24)15-14(10(8-36-15)16(31)28-2)29-17(9)35-12-3-4-30(7-11(12)21)18(32)33-5-6-34-20(25,26)27;1-10-13(19(21,22)23)15-14(12(9-35-15)16(30)27-2)28-17(10)34-11-3-5-29(6-4-11)18(31)32-7-8-33-20(24,25)26;1-10-7-11(3-4-29(10)18(31)32-5-6-33-20(24,25)26)34-14-8-13(19(21,22)23)16-15(28-14)12(9-35-16)17(30)27-2;1-10(2)6-16(28)30-14-4-5-27(8-13(14)21)15-7-12(20(22,23)24)18-17(26-15)11(9-31-18)19(29)25-3;1-24-19(28)13-10-30-18-14(20(21,22)23)9-15(25-17(13)18)26-6-4-12(5-7-26)29-16(27)8-11-2-3-11/h11-12,14-15H,4-10H2,1-3H3,(H,27,31);10-13H,3-9H2,1-2H3,(H,27,31);8,11-12H,3-7H2,1-2H3,(H,28,31);9,11H,3-8H2,1-2H3,(H,27,30);8-11H,3-7H2,1-2H3,(H,27,30);7,9-10,13-14H,4-6,8H2,1-3H3,(H,25,29);9-12H,2-8H2,1H3,(H,24,28)/t12-;11-;11-,12+;;10-,11-;13-,14-;/m110.10./s1.
What are the key properties of [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?
[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 has a molecular weight of 3480.40 g/mol, XLogP of 31.39, 40 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161435967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).