C155H177N43O19 — CID 158907810
tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide);tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[1-methyl-3-(oxan-4-ylmethoxy)pyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 158907810) has the molecular formula C155H177N43O19 and a molecular weight of 2946.40 g/mol. Its IUPAC name is tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide);tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[1-methyl-3-(oxan-4-ylmethoxy)pyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide.
| Compound Name | tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide);tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[1-methyl-3-(oxan-4-ylmethoxy)pyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158907810 |
| Molecular Formula | C155H177N43O19 |
| Molecular Weight | 2946.40 g/mol |
| Exact Mass | 2944.42 |
| IUPAC Name | tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide);tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[1-methyl-3-(oxan-4-ylmethoxy)pyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide |
| SMILES | Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOCC2)c2ncc(NC(=O)c3ccccn3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21 |
| InChI | InChI=1S/3C20H23N5O2.3C19H22N6O2.C19H21N5O4.C19H21N5O3/c3*1-25-17-11-14(23-19(26)18-16(21)7-4-10-22-18)8-9-15(17)20(24-25)27-12-13-5-2-3-6-13;3*1-25-15-9-13(23-18(26)16-14(20)7-4-8-21-16)10-22-17(15)19(24-25)27-11-12-5-2-3-6-12;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13;1-24-16-10-14(22-18(25)15-4-2-3-7-20-15)11-21-17(16)19(23-24)27-12-13-5-8-26-9-6-13/h3*4,7-11,13H,2-3,5-6,12,21H2,1H3,(H,23,26);3*4,7-10,12H,2-3,5-6,11,20H2,1H3,(H,23,26);2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25);2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,22,25)/t;;;;;;13-;/m......0./s1 |
| InChIKey | JGGOPZSLIFSWLT-WJJRQQFKSA-N |
| XLogP | 22.43 |
| TPSA | 813.71 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2946.40 |
| LogP ≤ 5 | 22.43 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 54 |