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

C122H113BBrClF4N26O9 — CID 165074976

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

7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 165074976) has the molecular formula C122H113BBrClF4N26O9 and a molecular weight of 2289.58 g/mol. Its IUPAC name is 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 165074976
• Molecular Formula: C122H113BBrClF4N26O9
• Molecular Weight: 2289.58 g/mol
• Exact Mass: 2286.81
• IUPAC Name: 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4nc(C)n(C)n4)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4nc(C)n(C)n4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4nc(C)n(C)n4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cc1nc(-c2cccc(Br)c2F)nn1C.O=C(Cl)C1CC1
• InChI: InChI=1S/C33H30FN7O.C33H29FN6O2.C23H22BN3O4.C19H18FN7O.C10H9BrFN3.C4H5ClO/c1-21-37-31(39-40(21)3)25-16-10-15-24(29(25)34)28-17-26-27(33(42)35-2)18-36-32(30(26)38-28)41(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23;1-21-36-31(38-39(21)2)25-16-10-15-24(29(25)34)28-17-26-27(33(41)42-3)18-35-32(30(26)37-28)40(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23;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;1-9-24-18(26-27(9)3)11-6-4-5-10(15(11)20)14-7-12-13(19(28)22-2)8-23-17(21)16(12)25-14;1-6-13-10(14-15(6)2)7-4-3-5-8(11)9(7)12;5-4(6)3-1-2-3/h4-18,38H,19-20H2,1-3H3,(H,35,42);4-18,37H,19-20H2,1-3H3;2-13,26,29-30H,14-15H2,1H3;4-8,25H,1-3H3,(H2,21,23)(H,22,28);3-5H,1-2H3;3H,1-2H2
• InChIKey: UDPFLJJPAMADPQ-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 441.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.58
LogP ≤ 5	21.01
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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 165074976) is 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

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

The canonical SMILES for 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4nc(C)n(C)n4)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4nc(C)n(C)n4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4nc(C)n(C)n4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cc1nc(-c2cccc(Br)c2F)nn1C.O=C(Cl)C1CC1.

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

The InChIKey is UDPFLJJPAMADPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN7O.C33H29FN6O2.C23H22BN3O4.C19H18FN7O.C10H9BrFN3.C4H5ClO/c1-21-37-31(39-40(21)3)25-16-10-15-24(29(25)34)28-17-26-27(33(42)35-2)18-36-32(30(26)38-28)41(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23;1-21-36-31(38-39(21)2)25-16-10-15-24(29(25)34)28-17-26-27(33(41)42-3)18-35-32(30(26)37-28)40(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23;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;1-9-24-18(26-27(9)3)11-6-4-5-10(15(11)20)14-7-12-13(19(28)22-2)8-23-17(21)16(12)25-14;1-6-13-10(14-15(6)2)7-4-3-5-8(11)9(7)12;5-4(6)3-1-2-3/h4-18,38H,19-20H2,1-3H3,(H,35,42);4-18,37H,19-20H2,1-3H3;2-13,26,29-30H,14-15H2,1H3;4-8,25H,1-3H3,(H2,21,23)(H,22,28);3-5H,1-2H3;3H,1-2H2.

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

7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2289.58 g/mol, XLogP of 21.01, 28 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;3-(3-bromo-2-fluorophenyl)-1,5-dimethyl-1,2,4-triazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-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-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 165074976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).