C101H94FN21O6 — CID 159843911
5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide (PubChem CID 159843911) has the molecular formula C101H94FN21O6 and a molecular weight of 1717.00 g/mol. Its IUPAC name is 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159843911 |
| Molecular Formula | C101H94FN21O6 |
| Molecular Weight | 1717.00 g/mol |
| Exact Mass | 1715.77 |
| IUPAC Name | 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide |
| SMILES | Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc12.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(NC1CCCCC1)c1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)c1.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C26H27FN6O.C26H25N5O2.C25H18N4O2.C24H24N6O/c1-17-5-6-28-15-24(17)29-26(34)25-22-14-19(3-4-23(22)30-31-25)20-11-18(12-21(27)13-20)16-33-9-7-32(2)8-10-33;32-25(28-20-7-3-1-4-8-20)19-13-18(15-27-16-19)17-11-12-23-22(14-17)24(31-30-23)26(33)29-21-9-5-2-6-10-21;30-25(27-19-7-3-1-4-8-19)24-22-14-17(11-12-23(22)28-29-24)18-13-21(16-26-15-18)31-20-9-5-2-6-10-20;1-16-6-7-25-14-22(16)27-24(31)23-20-11-18(4-5-21(20)28-29-23)19-10-17(12-26-13-19)15-30-8-2-3-9-30/h3-6,11-15H,7-10,16H2,1-2H3,(H,29,34)(H,30,31);2,5-6,9-16,20H,1,3-4,7-8H2,(H,28,32)(H,29,33)(H,30,31);1-16H,(H,27,30)(H,28,29);4-7,10-14H,2-3,8-9,15H2,1H3,(H,27,31)(H,28,29) |
| InChIKey | NPAVJPJQNKKMFD-UHFFFAOYSA-N |
| XLogP | 18.86 |
| TPSA | 343.62 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 129 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1717.00 |
| LogP ≤ 5 | 18.86 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 18 |