C109H110F2N26O7 — CID 157065345
5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157065345) has the molecular formula C109H110F2N26O7 and a molecular weight of 1934.25 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157065345 |
| Molecular Formula | C109H110F2N26O7 |
| Molecular Weight | 1934.25 g/mol |
| Exact Mass | 1932.90 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(CN5CCC5)nc4)c3c2)c1.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C30H34N6O3.C30H28N6O2.C27H27F2N7O.C22H21N7O/c37-24-7-9-25(10-8-24)39-26-14-21(16-31-18-26)20-4-11-28-27(15-20)29(35-34-28)30(38)33-22-5-6-23(32-17-22)19-36-12-2-1-3-13-36;37-30(33-23-10-11-24(32-18-23)20-36-13-5-2-6-14-36)29-27-16-21(9-12-28(27)34-35-29)22-15-26(19-31-17-22)38-25-7-3-1-4-8-25;28-27(29)6-9-36(17-27)15-18-10-20(13-30-12-18)19-2-5-24-23(11-19)25(34-33-24)26(37)32-21-3-4-22(31-14-21)16-35-7-1-8-35;23-16-8-15(10-24-11-16)14-2-5-20-19(9-14)21(28-27-20)22(30)26-17-3-4-18(25-12-17)13-29-6-1-7-29/h4-6,11,14-18,24-25,37H,1-3,7-10,12-13,19H2,(H,33,38)(H,34,35);1,3-4,7-12,15-19H,2,5-6,13-14,20H2,(H,33,37)(H,34,35);2-5,10-14H,1,6-9,15-17H2,(H,32,37)(H,33,34);2-5,8-12H,1,6-7,13,23H2,(H,26,30)(H,27,28) |
| InChIKey | ABUTZECNKHGVMB-UHFFFAOYSA-N |
| XLogP | 18.37 |
| TPSA | 415.15 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1934.25 |
| LogP ≤ 5 | 18.37 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 25 |