C115H128F2N28O5 — CID 158112270
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158112270) has the molecular formula C115H128F2N28O5 and a molecular weight of 2020.48 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-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-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158112270 |
| Molecular Formula | C115H128F2N28O5 |
| Molecular Weight | 2020.48 g/mol |
| Exact Mass | 2019.06 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C30H33F2N7O.C29H33N7O.C28H31N7O2.C28H31N7O/c31-30(32)8-12-39(13-9-30)19-21-14-23(17-33-16-21)22-4-7-27-26(15-22)28(37-36-27)29(40)35-24-5-6-25(34-18-24)20-38-10-2-1-3-11-38;37-29(32-23-8-9-24(31-18-23)20-35-11-3-1-4-12-35)28-26-16-21(7-10-27(26)33-34-28)22-15-25(19-30-17-22)36-13-5-2-6-14-36;36-28(31-22-5-6-23(30-17-22)19-34-8-2-1-3-9-34)27-25-15-20(4-7-26(25)32-33-27)21-14-24(18-29-16-21)35-10-12-37-13-11-35;36-28(31-22-7-8-23(30-17-22)19-34-10-2-1-3-11-34)27-25-15-20(6-9-26(25)32-33-27)21-14-24(18-29-16-21)35-12-4-5-13-35/h4-7,14-18H,1-3,8-13,19-20H2,(H,35,40)(H,36,37);7-10,15-19H,1-6,11-14,20H2,(H,32,37)(H,33,34);4-7,14-18H,1-3,8-13,19H2,(H,31,36)(H,32,33);6-9,14-18H,1-5,10-13,19H2,(H,31,36)(H,32,33) |
| InChIKey | FQORWZVDILPVHD-UHFFFAOYSA-N |
| XLogP | 19.69 |
| TPSA | 369.39 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2020.48 |
| LogP ≤ 5 | 19.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |