C120H108F4N24O8 — CID 160604563
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 160604563) has the molecular formula C120H108F4N24O8 and a molecular weight of 2090.34 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-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-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160604563 |
| Molecular Formula | C120H108F4N24O8 |
| Molecular Weight | 2090.34 g/mol |
| Exact Mass | 2088.87 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)CC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCCC6)c5)cc34)cn2)c1 |
| InChI | InChI=1S/C31H28F2N6O2.C30H26F2N6O2.C30H28N6O2.C29H26N6O2/c1-20-3-2-4-25(13-20)41-28-8-6-24(18-35-28)36-30(40)29-26-15-22(5-7-27(26)37-38-29)23-14-21(16-34-17-23)19-39-11-9-31(32,33)10-12-39;1-19-3-2-4-24(11-19)40-27-8-6-23(16-34-27)35-29(39)28-25-13-21(5-7-26(25)36-37-28)22-12-20(14-33-15-22)17-38-10-9-30(31,32)18-38;1-20-6-5-7-25(14-20)38-28-11-9-23(18-32-28)33-30(37)29-26-16-21(8-10-27(26)34-35-29)22-15-24(19-31-17-22)36-12-3-2-4-13-36;1-19-5-4-6-24(13-19)37-27-10-8-22(17-31-27)32-29(36)28-25-15-20(7-9-26(25)33-34-28)21-14-23(18-30-16-21)35-11-2-3-12-35/h2-8,13-18H,9-12,19H2,1H3,(H,36,40)(H,37,38);2-8,11-16H,9-10,17-18H2,1H3,(H,35,39)(H,36,37);5-11,14-19H,2-4,12-13H2,1H3,(H,33,37)(H,34,35);4-10,13-18H,2-3,11-12H2,1H3,(H,32,36)(H,33,34) |
| InChIKey | RESBLZSKNCXHSF-UHFFFAOYSA-N |
| XLogP | 25.15 |
| TPSA | 384.12 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2090.34 |
| LogP ≤ 5 | 25.15 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |