[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate

C124H141F25N20O19S6 — CID 159841590

IUPAC[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate
SMILESCC[C@H](C)CC(=O)OC1CCN(c2cc(C(F)(F)F)c3scc(C(=O)NC)c3n2)CC1.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)N4CC5(CCN5C)C4)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(N3CC[C@H](OC(=O)CC4CC4)[C@@H](F)C3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)C[C@@H](C)COC(F)(F)F)[C@@H](F)C3)nc12
InChIInChI=1S/C22H26F3N5O3S.C21H22F7N3O4S.C21H26F3N3O3S.C20H21F4N3O3S.2C20H23F4N3O3S/c1-26-19(31)14-10-34-18-15(22(23,24)25)9-16(27-17(14)18)29-6-3-13(4-7-29)33-20(32)30-11-21(12-30)5-8-28(21)2;1-10(8-34-21(26,27)28)5-16(32)35-14-3-4-31(7-13(14)22)15-6-12(20(23,24)25)18-17(30-15)11(9-36-18)19(33)29-2;1-4-12(2)9-17(28)30-13-5-7-27(8-6-13)16-10-15(21(22,23)24)19-18(26-16)14(11-31-19)20(29)25-3;1-25-19(29)11-9-31-18-12(20(22,23)24)7-15(26-17(11)18)27-5-4-14(13(21)8-27)30-16(28)6-10-2-3-10;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;1-11(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/h9-10,13H,3-8,11-12H2,1-2H3,(H,26,31);6,9-10,13-14H,3-5,7-8H2,1-2H3,(H,29,33);10-13H,4-9H2,1-3H3,(H,25,29);7,9-10,13-14H,2-6,8H2,1H3,(H,25,29);7,9-10,13-14H,4-6,8H2,1-3H3,(H,25,29);8,10-12H,3-7,9H2,1-2H3,(H,25,29)/t;10-,13+,14+;12-;2*13-,14-;11-/m.10000/s1
InChIKeyNOSZSIZTZCPVRD-XSGRQPFGSA-N
MW2882.96 g/mol
LogP24.79
Rot. Bonds32

About [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate

[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate (PubChem CID 159841590) has the molecular formula C124H141F25N20O19S6 and a molecular weight of 2882.96 g/mol. Its IUPAC name is [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate.

Molecular Properties

Compound Name[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate
PubChem CID159841590
Molecular FormulaC124H141F25N20O19S6
Molecular Weight2882.96 g/mol
Exact Mass2880.86
IUPAC Name[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate
SMILESCC[C@H](C)CC(=O)OC1CCN(c2cc(C(F)(F)F)c3scc(C(=O)NC)c3n2)CC1.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)N4CC5(CCN5C)C4)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(N3CC[C@H](OC(=O)CC4CC4)[C@@H](F)C3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)C[C@@H](C)COC(F)(F)F)[C@@H](F)C3)nc12
InChIInChI=1S/C22H26F3N5O3S.C21H22F7N3O4S.C21H26F3N3O3S.C20H21F4N3O3S.2C20H23F4N3O3S/c1-26-19(31)14-10-34-18-15(22(23,24)25)9-16(27-17(14)18)29-6-3-13(4-7-29)33-20(32)30-11-21(12-30)5-8-28(21)2;1-10(8-34-21(26,27)28)5-16(32)35-14-3-4-31(7-13(14)22)15-6-12(20(23,24)25)18-17(30-15)11(9-36-18)19(33)29-2;1-4-12(2)9-17(28)30-13-5-7-27(8-6-13)16-10-15(21(22,23)24)19-18(26-16)14(11-31-19)20(29)25-3;1-25-19(29)11-9-31-18-12(20(22,23)24)7-15(26-17(11)18)27-5-4-14(13(21)8-27)30-16(28)6-10-2-3-10;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;1-11(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/h9-10,13H,3-8,11-12H2,1-2H3,(H,26,31);6,9-10,13-14H,3-5,7-8H2,1-2H3,(H,29,33);10-13H,4-9H2,1-3H3,(H,25,29);7,9-10,13-14H,2-6,8H2,1H3,(H,25,29);7,9-10,13-14H,4-6,8H2,1-3H3,(H,25,29);8,10-12H,3-7,9H2,1-2H3,(H,25,29)/t;10-,13+,14+;12-;2*13-,14-;11-/m.10000/s1
InChIKeyNOSZSIZTZCPVRD-XSGRQPFGSA-N
XLogP24.79
TPSA444.89 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002882.96
LogP ≤ 524.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate?
The IUPAC name of [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate (CID 159841590) is [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate.
What is the SMILES notation for [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate?
The canonical SMILES for [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate is CC[C@H](C)CC(=O)OC1CCN(c2cc(C(F)(F)F)c3scc(C(=O)NC)c3n2)CC1.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)N4CC5(CCN5C)C4)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(N3CC[C@H](OC(=O)CC4CC4)[C@@H](F)C3)nc12.CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC[C@H](OC(=O)C[C@@H](C)COC(F)(F)F)[C@@H](F)C3)nc12.
What is the InChIKey of [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate?
The InChIKey is NOSZSIZTZCPVRD-XSGRQPFGSA-N. The full InChI is InChI=1S/C22H26F3N5O3S.C21H22F7N3O4S.C21H26F3N3O3S.C20H21F4N3O3S.2C20H23F4N3O3S/c1-26-19(31)14-10-34-18-15(22(23,24)25)9-16(27-17(14)18)29-6-3-13(4-7-29)33-20(32)30-11-21(12-30)5-8-28(21)2;1-10(8-34-21(26,27)28)5-16(32)35-14-3-4-31(7-13(14)22)15-6-12(20(23,24)25)18-17(30-15)11(9-36-18)19(33)29-2;1-4-12(2)9-17(28)30-13-5-7-27(8-6-13)16-10-15(21(22,23)24)19-18(26-16)14(11-31-19)20(29)25-3;1-25-19(29)11-9-31-18-12(20(22,23)24)7-15(26-17(11)18)27-5-4-14(13(21)8-27)30-16(28)6-10-2-3-10;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;1-11(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/h9-10,13H,3-8,11-12H2,1-2H3,(H,26,31);6,9-10,13-14H,3-5,7-8H2,1-2H3,(H,29,33);10-13H,4-9H2,1-3H3,(H,25,29);7,9-10,13-14H,2-6,8H2,1H3,(H,25,29);7,9-10,13-14H,4-6,8H2,1-3H3,(H,25,29);8,10-12H,3-7,9H2,1-2H3,(H,25,29)/t;10-,13+,14+;12-;2*13-,14-;11-/m.10000/s1.
What are the key properties of [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate?
[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate has a molecular weight of 2882.96 g/mol, XLogP of 24.79, 32 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 2-cyclopropylacetate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-methylbutanoate;[(3S,4S)-3-fluoro-1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3R)-3-methyl-4-(trifluoromethoxy)butanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-4-fluoro-3-methylbutanoate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 1-methyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] (3S)-3-methylpentanoate is sourced from PubChem (CID 159841590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).