(1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate

C113H124Cl2F4N24O18 — CID 160954528

About (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate

(1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate (PubChem CID 160954528) has the molecular formula C113H124Cl2F4N24O18 and a molecular weight of 2253.28 g/mol. Its IUPAC name is (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate.

Molecular Properties

• Compound Name: (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate
• PubChem CID: 160954528
• Molecular Formula: C113H124Cl2F4N24O18
• Molecular Weight: 2253.28 g/mol
• Exact Mass: 2250.88
• IUPAC Name: (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate
• SMILES: CC(C)OC(=O)/C=C\n1cnc(-c2cc(Cl)nc(OCc3ccc(Cl)cc3)c2)n1.CCN1CC(OC(=O)/C=C\n2cnc(-c3cc(C)nc(OC)c3)n2)C1.Cc1cc(OC(C)(C)F)cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O[C@@H](C)c3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O[C@@H](C)c3ncc[nH]3)n2)c1.Cc1cc(OC(F)(F)F)cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1
• InChI: InChI=1S/C22H24N4O3.C20H18Cl2N4O3.C20H23N5O3.C18H22FN3O3.C17H21N5O3.C16H16F3N3O3/c1-15(2)28-19-12-16(3)11-18(13-19)22-24-14-26(25-22)10-8-21(27)29-17(4)20-7-5-6-9-23-20;1-13(2)29-19(27)7-8-26-12-23-20(25-26)15-9-17(22)24-18(10-15)28-11-14-3-5-16(21)6-4-14;1-13(2)27-17-10-14(3)9-16(11-17)20-23-12-25(24-20)8-5-18(26)28-15(4)19-21-6-7-22-19;1-12(2)24-16(23)6-7-22-11-20-17(21-22)14-8-13(3)9-15(10-14)25-18(4,5)19;1-4-21-9-14(10-21)25-16(23)5-6-22-11-18-17(20-22)13-7-12(2)19-15(8-13)24-3;1-10(2)24-14(23)4-5-22-9-20-15(21-22)12-6-11(3)7-13(8-12)25-16(17,18)19/h5-15,17H,1-4H3;3-10,12-13H,11H2,1-2H3;5-13,15H,1-4H3,(H,21,22);6-12H,1-5H3;5-8,11,14H,4,9-10H2,1-3H3;4-10H,1-3H3/b10-8-;8-7-;8-5-;7-6-;6-5-;5-4-/t17-;;15-;;;/m0.0.../s1
• InChIKey: SWFAJGDDOHBVIN-GBVRACJBSA-N
• XLogP: 21.11
• TPSA: 468.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.28
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

The IUPAC name of (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate (CID 160954528) is (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate.

What is the SMILES notation for (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

The canonical SMILES for (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate is CC(C)OC(=O)/C=C\n1cnc(-c2cc(Cl)nc(OCc3ccc(Cl)cc3)c2)n1.CCN1CC(OC(=O)/C=C\n2cnc(-c3cc(C)nc(OC)c3)n2)C1.Cc1cc(OC(C)(C)F)cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O[C@@H](C)c3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O[C@@H](C)c3ncc[nH]3)n2)c1.Cc1cc(OC(F)(F)F)cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1.

What is the InChIKey of (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

The InChIKey is SWFAJGDDOHBVIN-GBVRACJBSA-N. The full InChI is InChI=1S/C22H24N4O3.C20H18Cl2N4O3.C20H23N5O3.C18H22FN3O3.C17H21N5O3.C16H16F3N3O3/c1-15(2)28-19-12-16(3)11-18(13-19)22-24-14-26(25-22)10-8-21(27)29-17(4)20-7-5-6-9-23-20;1-13(2)29-19(27)7-8-26-12-23-20(25-26)15-9-17(22)24-18(10-15)28-11-14-3-5-16(21)6-4-14;1-13(2)27-17-10-14(3)9-16(11-17)20-23-12-25(24-20)8-5-18(26)28-15(4)19-21-6-7-22-19;1-12(2)24-16(23)6-7-22-11-20-17(21-22)14-8-13(3)9-15(10-14)25-18(4,5)19;1-4-21-9-14(10-21)25-16(23)5-6-22-11-18-17(20-22)13-7-12(2)19-15(8-13)24-3;1-10(2)24-14(23)4-5-22-9-20-15(21-22)12-6-11(3)7-13(8-12)25-16(17,18)19/h5-15,17H,1-4H3;3-10,12-13H,11H2,1-2H3;5-13,15H,1-4H3,(H,21,22);6-12H,1-5H3;5-8,11,14H,4,9-10H2,1-3H3;4-10H,1-3H3/b10-8-;8-7-;8-5-;7-6-;6-5-;5-4-/t17-;;15-;;;/m0.0.../s1.

What are the key properties of (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

(1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate has a molecular weight of 2253.28 g/mol, XLogP of 21.11, 38 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethylazetidin-3-yl) (Z)-3-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-(1H-imidazol-2-yl)ethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[2-chloro-6-[(4-chlorophenyl)methoxy]-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-(2-fluoropropan-2-yloxy)-5-methylphenyl]-1,2,4-triazol-1-yl]prop-2-enoate;propan-2-yl (Z)-3-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;[(1S)-1-pyridin-2-ylethyl] (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate is sourced from PubChem (CID 160954528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).