C100H106N22O6 — CID 160813131
N-(1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 160813131) has the molecular formula C100H106N22O6 and a molecular weight of 1712.10 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-indazole-3-carboxamide.
| Compound Name | N-(1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160813131 |
| Molecular Formula | C100H106N22O6 |
| Molecular Weight | 1712.10 g/mol |
| Exact Mass | 1710.87 |
| IUPAC Name | N-(1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(NC1CCCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(NCc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc2c(c1)OCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C26H25N5O3.C25H26N6O.C25H31N5O.C24H24N6O/c32-26(28-20-5-7-23-24(12-20)34-16-33-23)25-21-11-18(4-6-22(21)29-30-25)19-10-17(13-27-14-19)15-31-8-2-1-3-9-31;32-25(28-15-18-5-4-8-26-13-18)24-22-12-20(6-7-23(22)29-30-24)21-11-19(14-27-16-21)17-31-9-2-1-3-10-31;31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;31-24(27-20-6-8-25-9-7-20)23-21-13-18(4-5-22(21)28-29-23)19-12-17(14-26-15-19)16-30-10-2-1-3-11-30/h4-7,10-14H,1-3,8-9,15-16H2,(H,28,32)(H,29,30);4-8,11-14,16H,1-3,9-10,15,17H2,(H,28,32)(H,29,30);9-10,13-16,21H,1-8,11-12,17H2,(H,27,31)(H,28,29);4-9,12-15H,1-3,10-11,16H2,(H,28,29)(H,25,27,31) |
| InChIKey | SEODZQLBUWYBCL-UHFFFAOYSA-N |
| XLogP | 17.46 |
| TPSA | 339.88 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1712.10 |
| LogP ≤ 5 | 17.46 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |