C114H101F5N26O7 — CID 160869599
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 160869599) has the molecular formula C114H101F5N26O7 and a molecular weight of 2042.23 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160869599 |
| Molecular Formula | C114H101F5N26O7 |
| Molecular Weight | 2042.23 g/mol |
| Exact Mass | 2040.83 |
| IUPAC Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4F)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4F)c3c2)c1.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C24H22FN5O.C23H20FN5O2.C23H20FN5O.C22H19FN6O2.C22H20FN5O/c25-20-6-2-3-7-22(20)27-24(31)23-19-13-16(8-9-21(19)28-29-23)17-12-18(15-26-14-17)30-10-4-1-5-11-30;24-19-3-1-2-4-21(19)26-23(30)22-18-12-15(5-6-20(18)27-28-22)16-11-17(14-25-13-16)29-7-9-31-10-8-29;24-19-5-1-2-6-21(19)26-23(30)22-18-12-15(7-8-20(18)27-28-22)16-11-17(14-25-13-16)29-9-3-4-10-29;1-29(2)22(31)25-15-9-14(11-24-12-15)13-7-8-18-16(10-13)20(28-27-18)21(30)26-19-6-4-3-5-17(19)23;1-28(2)13-14-9-16(12-24-11-14)15-7-8-19-17(10-15)21(27-26-19)22(29)25-20-6-4-3-5-18(20)23/h2-3,6-9,12-15H,1,4-5,10-11H2,(H,27,31)(H,28,29);1-6,11-14H,7-10H2,(H,26,30)(H,27,28);1-2,5-8,11-14H,3-4,9-10H2,(H,26,30)(H,27,28);3-12H,1-2H3,(H,25,31)(H,26,30)(H,27,28);3-12H,13H2,1-2H3,(H,25,29)(H,26,27) |
| InChIKey | SLOUXRPEVFZCMG-UHFFFAOYSA-N |
| XLogP | 21.66 |
| TPSA | 407.88 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2042.23 |
| LogP ≤ 5 | 21.66 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 21 |