C138H149N41O3 — CID 157071472
4-[2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;1-[[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-piperazin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-piperazin-1-yl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 157071472) has the molecular formula C138H149N41O3 and a molecular weight of 2429.99 g/mol. Its IUPAC name is 4-[2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;1-[[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-piperazin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-piperazin-1-yl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.
| Compound Name | 4-[2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;1-[[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-piperazin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-piperazin-1-yl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine |
|---|---|
| PubChem CID | 157071472 |
| Molecular Formula | C138H149N41O3 |
| Molecular Weight | 2429.99 g/mol |
| Exact Mass | 2428.28 |
| IUPAC Name | 4-[2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;1-[[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-piperazin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-piperazin-1-yl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6CCC(O)CC6)cncc5[nH]4)c3c2)c1.OC1CCC(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC7)c6)cc45)nc23)CC1.OC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5nc6c(N7CCNCC7)cncc6[nH]5)c4c3)c2)CC1.c1ncc(-c2ccc3[nH]nc(-c4nc5c(N6CCNCC6)cncc5[nH]4)c3c2)cc1CN1CCCC1.c1ncc(-c2ccc3[nH]nc(-c4nc5c(N6CCNCC6)cncc5[nH]4)c3c2)cc1CN1CCCCC1 |
| InChI | InChI=1S/C28H31N9O.C28H31N9.C28H29N7O.C27H29N9.C27H29N7O/c38-21-3-7-36(8-4-21)17-18-11-20(14-30-13-18)19-1-2-23-22(12-19)26(35-34-23)28-32-24-15-31-16-25(27(24)33-28)37-9-5-29-6-10-37;1-2-8-36(9-3-1)18-19-12-21(15-30-14-19)20-4-5-23-22(13-20)26(35-34-23)28-32-24-16-31-17-25(27(24)33-28)37-10-6-29-7-11-37;36-21-5-2-18(3-6-21)23-14-30-15-25-26(23)32-28(31-25)27-22-11-19(4-7-24(22)33-34-27)20-10-17(12-29-13-20)16-35-8-1-9-35;1-2-8-35(7-1)17-18-11-20(14-29-13-18)19-3-4-22-21(12-19)25(34-33-22)27-31-23-15-30-16-24(26(23)32-27)36-9-5-28-6-10-36;1-34(2)15-16-9-19(12-28-11-16)18-5-8-23-21(10-18)26(33-32-23)27-30-24-14-29-13-22(25(24)31-27)17-3-6-20(35)7-4-17/h1-2,11-16,21,29,38H,3-10,17H2,(H,32,33)(H,34,35);4-5,12-17,29H,1-3,6-11,18H2,(H,32,33)(H,34,35);4,7,10-15,18,21,36H,1-3,5-6,8-9,16H2,(H,31,32)(H,33,34);3-4,11-16,28H,1-2,5-10,17H2,(H,31,32)(H,33,34);5,8-14,17,20,35H,3-4,6-7,15H2,1-2H3,(H,30,31)(H,32,33) |
| InChIKey | ACMFJRXEUDVESP-UHFFFAOYSA-N |
| XLogP | 19.89 |
| TPSA | 538.40 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2429.99 |
| LogP ≤ 5 | 19.89 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 34 |