C137H139FN42O6 — CID 157348149
N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 157348149) has the molecular formula C137H139FN42O6 and a molecular weight of 2488.90 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.
| Compound Name | N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide |
|---|---|
| PubChem CID | 157348149 |
| Molecular Formula | C137H139FN42O6 |
| Molecular Weight | 2488.90 g/mol |
| Exact Mass | 2487.18 |
| IUPAC Name | N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide |
| SMILES | CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCNCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6CCC(O)CC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCNCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN(C)C)c6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCNCC6)cncc5[nH]4)c3c2)c1 |
| InChI | InChI=1S/C30H27FN8O.C29H31N7O2.C27H29N9O.C26H27N9O.C25H25N9O/c1-4-27(40)34-22-10-20(12-32-13-22)18-5-6-25-23(11-18)29(38-37-25)30-35-26-15-33-14-24(28(26)36-30)19-7-17(16-39(2)3)8-21(31)9-19;1-16(2)9-26(38)32-20-10-19(12-30-13-20)18-5-8-24-22(11-18)28(36-35-24)29-33-25-15-31-14-23(27(25)34-29)17-3-6-21(37)7-4-17;1-16(2)9-24(37)31-19-10-18(12-29-13-19)17-3-4-21-20(11-17)25(35-34-21)27-32-22-14-30-15-23(26(22)33-27)36-7-5-28-6-8-36;1-15(2)26(36)30-18-9-17(11-28-12-18)16-3-4-20-19(10-16)23(34-33-20)25-31-21-13-29-14-22(24(21)32-25)35-7-5-27-6-8-35;1-2-22(35)29-17-9-16(11-27-12-17)15-3-4-19-18(10-15)23(33-32-19)25-30-20-13-28-14-21(24(20)31-25)34-7-5-26-6-8-34/h5-15H,4,16H2,1-3H3,(H,34,40)(H,35,36)(H,37,38);5,8,10-17,21,37H,3-4,6-7,9H2,1-2H3,(H,32,38)(H,33,34)(H,35,36);3-4,10-16,28H,5-9H2,1-2H3,(H,31,37)(H,32,33)(H,34,35);3-4,9-15,27H,5-8H2,1-2H3,(H,30,36)(H,31,32)(H,33,34);3-4,9-14,26H,2,5-8H2,1H3,(H,29,35)(H,30,31)(H,32,33) |
| InChIKey | BHFHQXQJAPXPHA-UHFFFAOYSA-N |
| XLogP | 22.19 |
| TPSA | 630.48 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2488.90 |
| LogP ≤ 5 | 22.19 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 33 |