[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate

C124H140F25N19O20S6 — CID 161078343

About [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate

[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate (PubChem CID 161078343) has the molecular formula C124H140F25N19O20S6 and a molecular weight of 2883.95 g/mol. Its IUPAC name is [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate.

Molecular Properties

• Compound Name: [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate
• PubChem CID: 161078343
• Molecular Formula: C124H140F25N19O20S6
• Molecular Weight: 2883.95 g/mol
• Exact Mass: 2881.84
• IUPAC Name: [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate
• SMILES: CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC(C)C)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC(C)COC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)C[C@@H](C)CF)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N4CC(OC(F)(F)F)C4)CC3)nc12
• InChI: InChI=1S/C22H26F3N3O3S.C21H23F6N3O4S.C21H24F3N3O3S.C20H20F6N4O4S.C20H23F4N3O3S.C20H24F3N3O3S/c1-12(13-3-4-13)9-18(29)31-14-5-7-28(8-6-14)17-10-16(22(23,24)25)20-19(27-17)15(11-32-20)21(30)26-2;1-11(9-33-21(25,26)27)7-16(31)34-12-3-5-30(6-4-12)15-8-14(20(22,23)24)18-17(29-15)13(10-35-18)19(32)28-2;1-25-20(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;1-27-17(31)12-9-35-16-13(19(21,22)23)6-14(28-15(12)16)29-4-2-10(3-5-29)33-18(32)30-7-11(8-30)34-20(24,25)26;1-11(9-21)7-16(28)30-12-3-5-27(6-4-12)15-8-14(20(22,23)24)18-17(26-15)13(10-31-18)19(29)25-2;1-11(2)8-16(27)29-12-4-6-26(7-5-12)15-9-14(20(21,22)23)18-17(25-15)13(10-30-18)19(28)24-3/h10-14H,3-9H2,1-2H3,(H,26,30);8,10-12H,3-7,9H2,1-2H3,(H,28,32);10-13H,2-9H2,1H3,(H,25,29);6,9-11H,2-5,7-8H2,1H3,(H,27,31);8,10-12H,3-7,9H2,1-2H3,(H,25,29);9-12H,4-8H2,1-3H3,(H,24,28)/t12-;;;;11-;/m1...1./s1
• InChIKey: UFORJBPOYVYAGP-KCCDEOICSA-N
• XLogP: 26.17
• TPSA: 450.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2883.95
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate?

The IUPAC name of [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate (CID 161078343) is [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate.

What is the SMILES notation for [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate?

The canonical SMILES for [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC(C)C)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CC(C)COC(F)(F)F)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)CCC4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)C[C@@H](C)C4CC4)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)C[C@@H](C)CF)CC3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N4CC(OC(F)(F)F)C4)CC3)nc12.

What is the InChIKey of [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate?

The InChIKey is UFORJBPOYVYAGP-KCCDEOICSA-N. The full InChI is InChI=1S/C22H26F3N3O3S.C21H23F6N3O4S.C21H24F3N3O3S.C20H20F6N4O4S.C20H23F4N3O3S.C20H24F3N3O3S/c1-12(13-3-4-13)9-18(29)31-14-5-7-28(8-6-14)17-10-16(22(23,24)25)20-19(27-17)15(11-32-20)21(30)26-2;1-11(9-33-21(25,26)27)7-16(31)34-12-3-5-30(6-4-12)15-8-14(20(22,23)24)18-17(29-15)13(10-35-18)19(32)28-2;1-25-20(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;1-27-17(31)12-9-35-16-13(19(21,22)23)6-14(28-15(12)16)29-4-2-10(3-5-29)33-18(32)30-7-11(8-30)34-20(24,25)26;1-11(9-21)7-16(28)30-12-3-5-27(6-4-12)15-8-14(20(22,23)24)18-17(26-15)13(10-31-18)19(29)25-2;1-11(2)8-16(27)29-12-4-6-26(7-5-12)15-9-14(20(21,22)23)18-17(25-15)13(10-30-18)19(28)24-3/h10-14H,3-9H2,1-2H3,(H,26,30);8,10-12H,3-7,9H2,1-2H3,(H,28,32);10-13H,2-9H2,1H3,(H,25,29);6,9-11H,2-5,7-8H2,1H3,(H,27,31);8,10-12H,3-7,9H2,1-2H3,(H,25,29);9-12H,4-8H2,1-3H3,(H,24,28)/t12-;;;;11-;/m1...1./s1.

What are the key properties of [1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate?

[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate has a molecular weight of 2883.95 g/mol, XLogP of 26.17, 34 rotatable bonds, 6 hydrogen bond donors, and 38 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] (3R)-3-cyclopropylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-cyclopropylpropanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-4-fluoro-3-methylbutanoate;[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] 3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate is sourced from PubChem (CID 161078343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).