3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C138H145B2BrClIN18O24S2 — CID 159404983

About 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 159404983) has the molecular formula C138H145B2BrClIN18O24S2 and a molecular weight of 2767.80 g/mol. Its IUPAC name is 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 159404983
• Molecular Formula: C138H145B2BrClIN18O24S2
• Molecular Weight: 2767.80 g/mol
• Exact Mass: 2764.82
• IUPAC Name: 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CCOc1ncccc1-c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.CCOc1ncccc1-c1cc2c(C(=O)OC)cnc(N)c2[nH]1.CCOc1ncccc1-c1cc2c(C(=O)OC)cnc(NC(=O)C3CC3)c2[nH]1.CCOc1ncccc1B1OC(C)(C)C(C)(C)O1.CCOc1ncccc1B1OC(C)(C)C(C)(C)O1.CCOc1ncccc1Br.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.O=C(Cl)C1CC1
• InChI: InChI=1S/C36H32N4O5S.C29H24IN3O4S.C20H20N4O4.C16H16N4O3.2C13H20BNO3.C7H8BrNO.C4H5ClO/c1-3-45-35-29(20-13-21-37-35)32-22-30-31(36(41)44-2)23-38-34(33(30)40(32)46(42,43)28-18-11-6-12-19-28)39(24-26-14-7-4-8-15-26)25-27-16-9-5-10-17-27;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-3-28-19-12(5-4-8-21-19)15-9-13-14(20(26)27-2)10-22-17(16(13)23-15)24-18(25)11-6-7-11;1-3-23-15-9(5-4-6-18-15)12-7-10-11(16(21)22-2)8-19-14(17)13(10)20-12;2*1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14;1-2-10-7-6(8)4-3-5-9-7;5-4(6)3-1-2-3/h4-23H,3,24-25H2,1-2H3;2-18H,19-20H2,1H3;4-5,8-11,23H,3,6-7H2,1-2H3,(H,22,24,25);4-8,20H,3H2,1-2H3,(H2,17,19);2*7-9H,6H2,1-5H3;3-5H,2H2,1H3;3H,1-2H2
• InChIKey: LNVJQMCVJPCGBJ-UHFFFAOYSA-N
• XLogP: 25.11
• TPSA: 514.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2767.80
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 159404983) is 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CCOc1ncccc1-c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.CCOc1ncccc1-c1cc2c(C(=O)OC)cnc(N)c2[nH]1.CCOc1ncccc1-c1cc2c(C(=O)OC)cnc(NC(=O)C3CC3)c2[nH]1.CCOc1ncccc1B1OC(C)(C)C(C)(C)O1.CCOc1ncccc1B1OC(C)(C)C(C)(C)O1.CCOc1ncccc1Br.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.O=C(Cl)C1CC1.

What is the InChIKey of 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is LNVJQMCVJPCGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O5S.C29H24IN3O4S.C20H20N4O4.C16H16N4O3.2C13H20BNO3.C7H8BrNO.C4H5ClO/c1-3-45-35-29(20-13-21-37-35)32-22-30-31(36(41)44-2)23-38-34(33(30)40(32)46(42,43)28-18-11-6-12-19-28)39(24-26-14-7-4-8-15-26)25-27-16-9-5-10-17-27;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-3-28-19-12(5-4-8-21-19)15-9-13-14(20(26)27-2)10-22-17(16(13)23-15)24-18(25)11-6-7-11;1-3-23-15-9(5-4-6-18-15)12-7-10-11(16(21)22-2)8-19-14(17)13(10)20-12;2*1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14;1-2-10-7-6(8)4-3-5-9-7;5-4(6)3-1-2-3/h4-23H,3,24-25H2,1-2H3;2-18H,19-20H2,1H3;4-5,8-11,23H,3,6-7H2,1-2H3,(H,22,24,25);4-8,20H,3H2,1-2H3,(H2,17,19);2*7-9H,6H2,1-5H3;3-5H,2H2,1H3;3H,1-2H2.

What are the key properties of 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2767.80 g/mol, XLogP of 25.11, 38 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 159404983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).