C106H112F2N26O6 — CID 158431910
5-(5-amino-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 158431910) has the molecular formula C106H112F2N26O6 and a molecular weight of 1884.23 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158431910 |
| Molecular Formula | C106H112F2N26O6 |
| Molecular Weight | 1884.23 g/mol |
| Exact Mass | 1882.92 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide |
| SMILES | Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(CN5CCCCC5)nc4)c3c2)c1.O=C(Nc1ccc(CN2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12 |
| InChI | InChI=1S/C29H31F2N7O.C29H32N6O3.C24H25N7O.C24H24N6O/c30-29(31)8-11-38(19-29)17-20-12-22(15-32-14-20)21-4-7-26-25(13-21)27(36-35-26)28(39)34-23-5-6-24(33-16-23)18-37-9-2-1-3-10-37;36-23-6-8-24(9-7-23)38-25-13-20(15-30-17-25)19-3-10-27-26(14-19)28(34-33-27)29(37)32-21-4-5-22(31-16-21)18-35-11-1-2-12-35;25-18-10-17(12-26-13-18)16-4-7-22-21(11-16)23(30-29-22)24(32)28-19-5-6-20(27-14-19)15-31-8-2-1-3-9-31;31-24(27-19-7-8-20(26-15-19)16-30-11-2-1-3-12-30)23-21-13-17(6-9-22(21)28-29-23)18-5-4-10-25-14-18/h4-7,12-16H,1-3,8-11,17-19H2,(H,34,39)(H,35,36);3-5,10,13-17,23-24,36H,1-2,6-9,11-12,18H2,(H,32,37)(H,33,34);4-7,10-14H,1-3,8-9,15,25H2,(H,28,32)(H,29,30);4-10,13-15H,1-3,11-12,16H2,(H,27,31)(H,28,29) |
| InChIKey | HBTLIJGSXQYALG-UHFFFAOYSA-N |
| XLogP | 17.75 |
| TPSA | 405.92 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1884.23 |
| LogP ≤ 5 | 17.75 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 24 |