2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
C158H157ClN30O9 — CID 161036921
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)NCC(C)C)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OCC5)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1
InChIInChI=1S/C25H27N5O2.C25H27N5O.C23H24N4O.C22H20N4O2.C22H22N4O.C21H20N4O.C20H17ClN4O/c1-14(2)12-27-25(32)19-7-5-6-18(10-19)21-11-20-8-17(13-26-24(20)28-21)9-22(31)23-15(3)16(4)29-30-23;1-16-17(2)28-29-24(16)23(31)12-18-11-20-14-22(27-25(20)26-15-18)19-7-6-8-21(13-19)30-9-4-3-5-10-30;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-12-13(2)25-26-20(12)19(27)9-14-8-16-10-18(24-22(16)23-11-14)17-5-3-4-15-6-7-28-21(15)17;1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-12-4-6-16(7-5-12)18-10-17-8-15(11-22-21(17)23-18)9-19(26)20-13(2)14(3)24-25-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,26,28)(H,27,32)(H,29,30);6-8,11,13-15H,3-5,9-10,12H2,1-2H3,(H,26,27)(H,28,29);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);3-5,8,10-11H,6-7,9H2,1-2H3,(H,23,24)(H,25,26);5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);4-8,10-11H,9H2,1-3H3,(H,22,23)(H,24,25);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyUAJIWTFVCICJSZ-UHFFFAOYSA-N
MW2655.65 g/mol
LogP31.78
Rot. Bonds32
About 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 161036921) has the molecular formula C158H157ClN30O9 and a molecular weight of 2655.65 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
Molecular Properties
| Compound Name | 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone |
|---|---|
| PubChem CID | 161036921 |
| Molecular Formula | C158H157ClN30O9 |
| Molecular Weight | 2655.65 g/mol |
| Exact Mass | 2653.24 |
| IUPAC Name | 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone |
| SMILES | Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)NCC(C)C)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OCC5)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1 |
| InChI | InChI=1S/C25H27N5O2.C25H27N5O.C23H24N4O.C22H20N4O2.C22H22N4O.C21H20N4O.C20H17ClN4O/c1-14(2)12-27-25(32)19-7-5-6-18(10-19)21-11-20-8-17(13-26-24(20)28-21)9-22(31)23-15(3)16(4)29-30-23;1-16-17(2)28-29-24(16)23(31)12-18-11-20-14-22(27-25(20)26-15-18)19-7-6-8-21(13-19)30-9-4-3-5-10-30;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-12-13(2)25-26-20(12)19(27)9-14-8-16-10-18(24-22(16)23-11-14)17-5-3-4-15-6-7-28-21(15)17;1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-12-4-6-16(7-5-12)18-10-17-8-15(11-22-21(17)23-18)9-19(26)20-13(2)14(3)24-25-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,26,28)(H,27,32)(H,29,30);6-8,11,13-15H,3-5,9-10,12H2,1-2H3,(H,26,27)(H,28,29);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);3-5,8,10-11H,6-7,9H2,1-2H3,(H,23,24)(H,25,26);5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);4-8,10-11H,9H2,1-3H3,(H,22,23)(H,24,25);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25) |
| InChIKey | UAJIWTFVCICJSZ-UHFFFAOYSA-N |
| XLogP | 31.78 |
| TPSA | 562.58 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 198 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2655.65 |
| LogP ≤ 5 | 31.78 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 161036921) is 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)NCC(C)C)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OCC5)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is UAJIWTFVCICJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C25H27N5O.C23H24N4O.C22H20N4O2.C22H22N4O.C21H20N4O.C20H17ClN4O/c1-14(2)12-27-25(32)19-7-5-6-18(10-19)21-11-20-8-17(13-26-24(20)28-21)9-22(31)23-15(3)16(4)29-30-23;1-16-17(2)28-29-24(16)23(31)12-18-11-20-14-22(27-25(20)26-15-18)19-7-6-8-21(13-19)30-9-4-3-5-10-30;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-12-13(2)25-26-20(12)19(27)9-14-8-16-10-18(24-22(16)23-11-14)17-5-3-4-15-6-7-28-21(15)17;1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-12-4-6-16(7-5-12)18-10-17-8-15(11-22-21(17)23-18)9-19(26)20-13(2)14(3)24-25-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,26,28)(H,27,32)(H,29,30);6-8,11,13-15H,3-5,9-10,12H2,1-2H3,(H,26,27)(H,28,29);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);3-5,8,10-11H,6-7,9H2,1-2H3,(H,23,24)(H,25,26);5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);4-8,10-11H,9H2,1-3H3,(H,22,23)(H,24,25);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 2655.65 g/mol, XLogP of 31.78, 32 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 161036921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161036921 — identifiers, structure, computed properties (public domain)
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