C141H113N41O5 — CID 157146322
2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide (PubChem CID 157146322) has the molecular formula C141H113N41O5 and a molecular weight of 2461.74 g/mol. Its IUPAC name is 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide.
| Compound Name | 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide |
|---|---|
| PubChem CID | 157146322 |
| Molecular Formula | C141H113N41O5 |
| Molecular Weight | 2461.74 g/mol |
| Exact Mass | 2459.98 |
| IUPAC Name | 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide |
| SMILES | CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1nccc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)n1.O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCC1 |
| InChI | InChI=1S/C31H22N8O.C28H22N8O.C28H24N8O.C27H23N9O.C27H22N8O/c40-28(11-19-5-2-1-3-6-19)35-23-12-22(15-33-16-23)20-8-9-26-24(13-20)30(39-38-26)31-36-27-18-34-17-25(29(27)37-31)21-7-4-10-32-14-21;37-28(16-3-1-4-16)32-20-9-19(12-30-13-20)17-6-7-23-21(10-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-5-2-8-29-11-18;1-2-3-6-25(37)32-20-10-19(13-30-14-20)17-7-8-23-21(11-17)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)18-5-4-9-29-12-18;1-2-3-6-23(37)33-27-30-11-9-20(32-27)16-7-8-21-18(12-16)25(36-35-21)26-31-22-15-29-14-19(24(22)34-26)17-5-4-10-28-13-17;1-2-4-24(36)31-19-9-18(12-29-13-19)16-6-7-22-20(10-16)26(35-34-22)27-32-23-15-30-14-21(25(23)33-27)17-5-3-8-28-11-17/h1-10,12-18H,11H2,(H,35,40)(H,36,37)(H,38,39);2,5-16H,1,3-4H2,(H,32,37)(H,33,34)(H,35,36);4-5,7-16H,2-3,6H2,1H3,(H,32,37)(H,33,34)(H,35,36);4-5,7-15H,2-3,6H2,1H3,(H,31,34)(H,35,36)(H,30,32,33,37);3,5-15H,2,4H2,1H3,(H,31,36)(H,32,33)(H,34,35) |
| InChIKey | AKSYJGGFRGVMIA-UHFFFAOYSA-N |
| XLogP | 27.44 |
| TPSA | 638.54 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2461.74 |
| LogP ≤ 5 | 27.44 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 31 |