2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C143H133BBrN21O13 — CID 161082875

About 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 161082875) has the molecular formula C143H133BBrN21O13 and a molecular weight of 2444.49 g/mol. Its IUPAC name is 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 161082875
• Molecular Formula: C143H133BBrN21O13
• Molecular Weight: 2444.49 g/mol
• Exact Mass: 2441.97
• IUPAC Name: 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cn1ccnc1-c1ccc(-c2cc3c(C(=O)O)cnc(N(Cc4ccccc4)Cc4ccccc4)c3[nH]2)c(OC2CC2)c1.Cn1ccnc1-c1ccc(Br)c(OC2CC2)c1
• InChI: InChI=1S/C36H34N6O2.C36H33N5O3.C35H31N5O3.C23H22BN3O4.C13H13BrN2O/c1-37-36(43)30-21-39-35(42(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25)33-29(30)20-31(40-33)28-16-13-26(34-38-17-18-41(34)2)19-32(28)44-27-14-15-27;1-40-18-17-37-34(40)26-13-16-28(32(19-26)44-27-14-15-27)31-20-29-30(36(42)43-2)21-38-35(33(29)39-31)41(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25;1-39-17-16-36-33(39)25-12-15-27(31(18-25)43-26-13-14-26)30-19-28-29(35(41)42)20-37-34(32(28)38-30)40(21-23-8-4-2-5-9-23)22-24-10-6-3-7-11-24;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;1-16-7-6-15-13(16)9-2-5-11(14)12(8-9)17-10-3-4-10/h3-13,16-21,27,40H,14-15,22-23H2,1-2H3,(H,37,43);3-13,16-21,27,39H,14-15,22-23H2,1-2H3;2-12,15-20,26,38H,13-14,21-22H2,1H3,(H,41,42);2-13,26,29-30H,14-15H2,1H3;2,5-8,10H,3-4H2,1H3
• InChIKey: UGDFHNZMRXIMLO-UHFFFAOYSA-N
• XLogP: 26.61
• TPSA: 395.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.49
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 161082875) is 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cn1ccnc1-c1ccc(-c2cc3c(C(=O)O)cnc(N(Cc4ccccc4)Cc4ccccc4)c3[nH]2)c(OC2CC2)c1.Cn1ccnc1-c1ccc(Br)c(OC2CC2)c1.

What is the InChIKey of 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is UGDFHNZMRXIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O2.C36H33N5O3.C35H31N5O3.C23H22BN3O4.C13H13BrN2O/c1-37-36(43)30-21-39-35(42(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25)33-29(30)20-31(40-33)28-16-13-26(34-38-17-18-41(34)2)19-32(28)44-27-14-15-27;1-40-18-17-37-34(40)26-13-16-28(32(19-26)44-27-14-15-27)31-20-29-30(36(42)43-2)21-38-35(33(29)39-31)41(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25;1-39-17-16-36-33(39)25-12-15-27(31(18-25)43-26-13-14-26)30-19-28-29(35(41)42)20-37-34(32(28)38-30)40(21-23-8-4-2-5-9-23)22-24-10-6-3-7-11-24;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;1-16-7-6-15-13(16)9-2-5-11(14)12(8-9)17-10-3-4-10/h3-13,16-21,27,40H,14-15,22-23H2,1-2H3,(H,37,43);3-13,16-21,27,39H,14-15,22-23H2,1-2H3;2-12,15-20,26,38H,13-14,21-22H2,1H3,(H,41,42);2-13,26,29-30H,14-15H2,1H3;2,5-8,10H,3-4H2,1H3.

What are the key properties of 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2444.49 g/mol, XLogP of 26.61, 40 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-cyclopropyloxyphenyl)-1-methylimidazole;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 161082875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).