C115H128F2N28O5 — CID 157541863
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157541863) has the molecular formula C115H128F2N28O5 and a molecular weight of 2020.40 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-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-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157541863 |
| Molecular Formula | C115H128F2N28O5 |
| Molecular Weight | 2020.40 g/mol |
| Exact Mass | 2020.06 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CC1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NNC4=C3C=C(C=C4)C5=CC(=CN=C5)N6CCCCC6.CC1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NNC4=C3C=C(C=C4)C5=CC(=CN=C5)N6CCCC6.CC1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NNC4=C3C=C(C=C4)C5=CC(=CN=C5)N6CCOCC6.CC1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NNC4=C3C=C(C=C4)C5=CN=CC(=C5)CN6CCC(CC6)(F)F |
| InChI | InChI=1S/C30H33F2N7O.C29H33N7O.C28H31N7O2.C28H31N7O/c1-20-6-10-39(11-7-20)27-5-3-24(18-34-27)35-29(40)28-25-15-22(2-4-26(25)36-37-28)23-14-21(16-33-17-23)19-38-12-8-30(31,32)9-13-38;1-20-9-13-36(14-10-20)27-8-6-23(18-31-27)32-29(37)28-25-16-21(5-7-26(25)33-34-28)22-15-24(19-30-17-22)35-11-3-2-4-12-35;1-19-6-8-35(9-7-19)26-5-3-22(17-30-26)31-28(36)27-24-15-20(2-4-25(24)32-33-27)21-14-23(18-29-16-21)34-10-12-37-13-11-34;1-19-8-12-35(13-9-19)26-7-5-22(17-30-26)31-28(36)27-24-15-20(4-6-25(24)32-33-27)21-14-23(18-29-16-21)34-10-2-3-11-34/h2-5,14-18,20H,6-13,19H2,1H3,(H,35,40)(H,36,37);5-8,15-20H,2-4,9-14H2,1H3,(H,32,37)(H,33,34);2-5,14-19H,6-13H2,1H3,(H,31,36)(H,32,33);4-7,14-19H,2-3,8-13H2,1H3,(H,31,36)(H,32,33) |
| InChIKey | CDAISEOTVRTJHT-UHFFFAOYSA-N |
| XLogP | — |
| TPSA | 369.00 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 150 |
| Complexity | 3090 |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2020.40 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |