C119H108F2N24O9 — CID 159865003
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159865003) has the molecular formula C119H108F2N24O9 and a molecular weight of 2056.33 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159865003 |
| Molecular Formula | C119H108F2N24O9 |
| Molecular Weight | 2056.33 g/mol |
| Exact Mass | 2054.87 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)CC6)c5)cc34)cn2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCCC6)c5)cc34)cn2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCOCC6)c5)cc34)cn2)cc1 |
| InChI | InChI=1S/C31H28F2N6O2.C30H28N6O2.C29H26N6O3.C29H26N6O2/c1-20-2-6-25(7-3-20)41-28-9-5-24(18-35-28)36-30(40)29-26-15-22(4-8-27(26)37-38-29)23-14-21(16-34-17-23)19-39-12-10-31(32,33)11-13-39;1-20-5-9-25(10-6-20)38-28-12-8-23(18-32-28)33-30(37)29-26-16-21(7-11-27(26)34-35-29)22-15-24(19-31-17-22)36-13-3-2-4-14-36;1-19-2-6-24(7-3-19)38-27-9-5-22(17-31-27)32-29(36)28-25-15-20(4-8-26(25)33-34-28)21-14-23(18-30-16-21)35-10-12-37-13-11-35;1-19-4-8-24(9-5-19)37-27-11-7-22(17-31-27)32-29(36)28-25-15-20(6-10-26(25)33-34-28)21-14-23(18-30-16-21)35-12-2-3-13-35/h2-9,14-18H,10-13,19H2,1H3,(H,36,40)(H,37,38);5-12,15-19H,2-4,13-14H2,1H3,(H,33,37)(H,34,35);2-9,14-18H,10-13H2,1H3,(H,32,36)(H,33,34);4-11,14-18H,2-3,12-13H2,1H3,(H,32,36)(H,33,34) |
| InChIKey | NRPUVRVLQNXRDG-UHFFFAOYSA-N |
| XLogP | 24.15 |
| TPSA | 393.35 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2056.33 |
| LogP ≤ 5 | 24.15 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |