[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

C103H109F28N15O23S5 — CID 158369727

About [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

[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 (PubChem CID 158369727) has the molecular formula C103H109F28N15O23S5 and a molecular weight of 2617.37 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 158369727
• Molecular Formula: C103H109F28N15O23S5
• Molecular Weight: 2617.37 g/mol
• Exact Mass: 2615.60
• IUPAC Name: [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
• SMILES: 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)cc(N3CCC(OC(=O)CC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)[C@H](C)C3)nc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H24F3N3O3S.C20H20F7N3O5S.2C20H21F6N3O5S.C20H22F3N3O3S.C2HF3O2/c1-25-20(29)14-11-31-19-15(21(22,23)24)10-16(26-18(14)19)27-8-6-13(7-9-27)30-17(28)5-4-12-2-3-12;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;1-24-19(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;3-2(4,5)1(6)7/h10-13H,2-9H2,1H3,(H,25,29);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);9-12H,2-8H2,1H3,(H,24,28);(H,6,7)/t;11-,12+;;10-,11-;;/m.0.1../s1
• InChIKey: RKFSSEBUPIURDC-KXSPBWABSA-N
• XLogP: 22.52
• TPSA: 450.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2617.37
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is 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)cc(N3CCC(OC(=O)CC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(O[C@@H]3CCN(C(=O)OCCOC(F)(F)F)[C@H](C)C3)nc12.O=C(O)C(F)(F)F.

What is the InChIKey of [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?

The InChIKey is RKFSSEBUPIURDC-KXSPBWABSA-N. The full InChI is InChI=1S/C21H24F3N3O3S.C20H20F7N3O5S.2C20H21F6N3O5S.C20H22F3N3O3S.C2HF3O2/c1-25-20(29)14-11-31-19-15(21(22,23)24)10-16(26-18(14)19)27-8-6-13(7-9-27)30-17(28)5-4-12-2-3-12;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;1-24-19(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;3-2(4,5)1(6)7/h10-13H,2-9H2,1H3,(H,25,29);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);9-12H,2-8H2,1H3,(H,24,28);(H,6,7)/t;11-,12+;;10-,11-;;/m.0.1../s1.

What are the key properties of [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?

[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 has a molecular weight of 2617.37 g/mol, XLogP of 22.52, 29 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 158369727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).