7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C130H125BBrClF4N22O13 — CID 164990443

About 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 164990443) has the molecular formula C130H125BBrClF4N22O13 and a molecular weight of 2405.73 g/mol. Its IUPAC name is 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 164990443
• Molecular Formula: C130H125BBrClF4N22O13
• Molecular Weight: 2405.73 g/mol
• Exact Mass: 2402.87
• IUPAC Name: 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1.CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(N)c2[nH]1.CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1.CCOc1cc(-c2nccn2C)cc(F)c1Br.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.O=C(Cl)C1CC1
• InChI: InChI=1S/C35H33FN6O2.C35H32FN5O3.C23H22BN3O4.C21H21FN6O2.C12H12BrFN2O.C4H5ClO/c1-4-44-30-18-25(33-38-15-16-41(33)3)17-28(36)31(30)29-19-26-27(35(43)37-2)20-39-34(32(26)40-29)42(21-23-11-7-5-8-12-23)22-24-13-9-6-10-14-24;1-4-44-30-18-25(33-37-15-16-40(33)2)17-28(36)31(30)29-19-26-27(35(42)43-3)20-38-34(32(26)39-29)41(21-23-11-7-5-8-12-23)22-24-13-9-6-10-14-24;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-4-30-16-8-11(20-25-5-6-28(20)3)7-14(22)17(16)15-9-12-13(21(29)24-2)10-26-19(23)18(12)27-15;1-3-17-10-7-8(6-9(14)11(10)13)12-15-4-5-16(12)2;5-4(6)3-1-2-3/h5-20,40H,4,21-22H2,1-3H3,(H,37,43);5-20,39H,4,21-22H2,1-3H3;2-13,26,29-30H,14-15H2,1H3;5-10,27H,4H2,1-3H3,(H2,23,26)(H,24,29);4-7H,3H2,1-2H3;3H,1-2H2
• InChIKey: GTVBIIHXZWKGPK-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 426.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.73
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 164990443) is 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1.CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(N)c2[nH]1.CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1.CCOc1cc(-c2nccn2C)cc(F)c1Br.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.O=C(Cl)C1CC1.

What is the InChIKey of 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is GTVBIIHXZWKGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN6O2.C35H32FN5O3.C23H22BN3O4.C21H21FN6O2.C12H12BrFN2O.C4H5ClO/c1-4-44-30-18-25(33-38-15-16-41(33)3)17-28(36)31(30)29-19-26-27(35(43)37-2)20-39-34(32(26)40-29)42(21-23-11-7-5-8-12-23)22-24-13-9-6-10-14-24;1-4-44-30-18-25(33-37-15-16-40(33)2)17-28(36)31(30)29-19-26-27(35(42)43-3)20-38-34(32(26)39-29)41(21-23-11-7-5-8-12-23)22-24-13-9-6-10-14-24;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-4-30-16-8-11(20-25-5-6-28(20)3)7-14(22)17(16)15-9-12-13(21(29)24-2)10-26-19(23)18(12)27-15;1-3-17-10-7-8(6-9(14)11(10)13)12-15-4-5-16(12)2;5-4(6)3-1-2-3/h5-20,40H,4,21-22H2,1-3H3,(H,37,43);5-20,39H,4,21-22H2,1-3H3;2-13,26,29-30H,14-15H2,1H3;5-10,27H,4H2,1-3H3,(H2,23,26)(H,24,29);4-7H,3H2,1-2H3;3H,1-2H2.

What are the key properties of 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2405.73 g/mol, XLogP of 23.79, 36 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-ethoxy-5-fluorophenyl)-1-methylimidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 164990443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).