C144H157F2N43O5 — CID 158075024
N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane;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 158075024) has the molecular formula C144H157F2N43O5 and a molecular weight of 2608.13 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]-2-methylpropanamide;N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane;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]-2-methylpropanamide;N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane;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 | 158075024 |
| Molecular Formula | C144H157F2N43O5 |
| Molecular Weight | 2608.13 g/mol |
| Exact Mass | 2606.33 |
| 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]-2-methylpropanamide;N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane;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 | C.C.C.C.C.CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN(C)C)c6)cncc5[nH]4)c3c2)c1.CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCNCC6)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/C31H29FN8O.C30H27FN8O.C27H29N9O.C26H27N9O.C25H25N9O.5CH4/c1-17(2)31(41)35-23-10-21(12-33-13-23)19-5-6-26-24(11-19)29(39-38-26)30-36-27-15-34-14-25(28(27)37-30)20-7-18(16-40(3)4)8-22(32)9-20;1-4-27(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)9-24(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;;;;;/h5-15,17H,16H2,1-4H3,(H,35,41)(H,36,37)(H,38,39);5-15H,4,16H2,1-3H3,(H,34,40)(H,35,36)(H,37,38);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);5*1H4 |
| InChIKey | FMGMEWUPJAXNIR-UHFFFAOYSA-N |
| XLogP | 25.83 |
| TPSA | 613.49 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2608.13 |
| LogP ≤ 5 | 25.83 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 33 |