A1A6K
Summary
| Name: | (6M)-1-{2-[4-(2-methoxyethyl)piperazin-1-yl]-1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine |
| Formula: | C32 H38 N10 O3 |
| Formal charge: | 0 |
| Formula weight: | 610.709 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6M)-1-{2-[4-(2-methoxyethyl)piperazin-1-yl]-1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{R})-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxypyridin-3-yl)-4-methyl-pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-imidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccncc1c1cc2c(cnn2c2nc(N3CC4CC3CO4)c3nc(N4CCN(CCOC)CC4)n(C)c3c2)c(C)n1 |
| InChI | InChI | 1.06 | InChI=1S/C32H38N10O3/c1-20-23-17-34-42(26(23)14-25(35-20)24-16-33-6-5-28(24)44-4)29-15-27-30(31(36-29)41-18-22-13-21(41)19-45-22)37-32(38(27)2)40-9-7-39(8-10-40)11-12-43-3/h5-6,14-17,21-22H,7-13,18-19H2,1-4H3 |
| InChIKey | InChI | 1.06 | NBILLXVMFPDPPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN1CCN(CC1)c2nc3c(cc(nc3N4C[C@H]5C[C@@H]4CO5)n6ncc7c(C)nc(cc67)c8cnccc8OC)n2C |
| SMILES | CACTVS | 3.385 | COCCN1CCN(CC1)c2nc3c(cc(nc3N4C[CH]5C[CH]4CO5)n6ncc7c(C)nc(cc67)c8cnccc8OC)n2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(n4)N6C[C@H]7C[C@@H]6CO7)nc(n5C)N8CCN(CC8)CCOC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(n4)N6CC7CC6CO7)nc(n5C)N8CCN(CC8)CCOC |
