7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C126H113BBrClF4N26O13 — CID 159842874

About 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 159842874) has the molecular formula C126H113BBrClF4N26O13 and a molecular weight of 2401.62 g/mol. Its IUPAC name is 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 159842874
• Molecular Formula: C126H113BBrClF4N26O13
• Molecular Weight: 2401.62 g/mol
• Exact Mass: 2398.79
• IUPAC Name: 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-n4nccn4)cc3OC3CC3)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-n4nccn4)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-n4nccn4)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1cc(-n2nccn2)cc(OC2CC2)c1Br.O=C(Cl)C1CC1
• InChI: InChI=1S/C34H30FN7O2.C34H29FN6O3.C23H22BN3O4.C20H18FN7O2.C11H9BrFN3O.C4H5ClO/c1-36-34(43)27-19-37-33(41(20-22-8-4-2-5-9-22)21-23-10-6-3-7-11-23)32-26(27)18-29(40-32)31-28(35)16-24(42-38-14-15-39-42)17-30(31)44-25-12-13-25;1-43-34(42)27-19-36-33(40(20-22-8-4-2-5-9-22)21-23-10-6-3-7-11-23)32-26(27)18-29(39-32)31-28(35)16-24(41-37-14-15-38-41)17-30(31)44-25-12-13-25;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;1-23-20(29)13-9-24-19(22)18-12(13)8-15(27-18)17-14(21)6-10(28-25-4-5-26-28)7-16(17)30-11-2-3-11;12-11-9(13)5-7(16-14-3-4-15-16)6-10(11)17-8-1-2-8;5-4(6)3-1-2-3/h2-11,14-19,25,40H,12-13,20-21H2,1H3,(H,36,43);2-11,14-19,25,39H,12-13,20-21H2,1H3;2-13,26,29-30H,14-15H2,1H3;4-9,11,27H,2-3H2,1H3,(H2,22,24)(H,23,29);3-6,8H,1-2H2;3H,1-2H2
• InChIKey: NOXGALRMRVDRKE-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 478.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.62
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

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-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 159842874) is 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-n4nccn4)cc3OC3CC3)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-n4nccn4)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-n4nccn4)cc3OC3CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1cc(-n2nccn2)cc(OC2CC2)c1Br.O=C(Cl)C1CC1.

What is the InChIKey of 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is NOXGALRMRVDRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN7O2.C34H29FN6O3.C23H22BN3O4.C20H18FN7O2.C11H9BrFN3O.C4H5ClO/c1-36-34(43)27-19-37-33(41(20-22-8-4-2-5-9-22)21-23-10-6-3-7-11-23)32-26(27)18-29(40-32)31-28(35)16-24(42-38-14-15-39-42)17-30(31)44-25-12-13-25;1-43-34(42)27-19-36-33(40(20-22-8-4-2-5-9-22)21-23-10-6-3-7-11-23)32-26(27)18-29(39-32)31-28(35)16-24(41-37-14-15-38-41)17-30(31)44-25-12-13-25;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;1-23-20(29)13-9-24-19(22)18-12(13)8-15(27-18)17-14(21)6-10(28-25-4-5-26-28)7-16(17)30-11-2-3-11;12-11-9(13)5-7(16-14-3-4-15-16)6-10(11)17-8-1-2-8;5-4(6)3-1-2-3/h2-11,14-19,25,40H,12-13,20-21H2,1H3,(H,36,43);2-11,14-19,25,39H,12-13,20-21H2,1H3;2-13,26,29-30H,14-15H2,1H3;4-9,11,27H,2-3H2,1H3,(H2,22,24)(H,23,29);3-6,8H,1-2H2;3H,1-2H2.

What are the key properties of 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2401.62 g/mol, XLogP of 21.08, 36 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(4-bromo-3-cyclopropyloxy-5-fluorophenyl)triazole;cyclopropanecarbonyl chloride;2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-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 2-[2-cyclopropyloxy-6-fluoro-4-(triazol-2-yl)phenyl]-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 159842874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).