C251H257F4N67O15S — CID 159024846
N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-oxo-1H-pyridin-3-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159024846) has the molecular formula C251H257F4N67O15S and a molecular weight of 4560.33 g/mol. Its IUPAC name is N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-oxo-1H-pyridin-3-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-oxo-1H-pyridin-3-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159024846 |
| Molecular Formula | C251H257F4N67O15S |
| Molecular Weight | 4560.33 g/mol |
| Exact Mass | 4557.11 |
| IUPAC Name | N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-oxo-1H-pyridin-3-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCCC6)nc5)c4c3)c2)CC1.COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.O=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12 |
| InChI | InChI=1S/C29H33N7O.C27H27F2N7O.C27H30N8O.C26H27N7O2.C25H26N6O3S.C25H26N6O2.C24H24N6O2.C23H20F2N6O.C23H24N8O.C22H20N6O/c37-29(32-24-8-10-27(31-19-24)36-13-5-2-6-14-36)28-25-16-22(7-9-26(25)33-34-28)23-15-21(17-30-18-23)20-35-11-3-1-4-12-35;28-27(29)7-10-35(17-27)16-18-11-20(14-30-13-18)19-3-5-23-22(12-19)25(34-33-23)26(37)32-21-4-6-24(31-15-21)36-8-1-2-9-36;1-33-10-12-34(13-11-33)22-14-20(16-28-18-22)19-4-6-24-23(15-19)26(32-31-24)27(36)30-21-5-7-25(29-17-21)35-8-2-3-9-35;34-26(29-20-4-6-24(28-16-20)33-7-1-2-8-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-9-11-35-12-10-32;1-35(33,34)23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31;1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31;31-22-7-5-19(14-26-22)27-24(32)23-20-11-17(4-6-21(20)28-29-23)18-10-16(12-25-13-18)15-30-8-2-1-3-9-30;24-23(25)5-7-31(14-23)13-15-8-17(11-27-10-15)16-3-4-20-19(9-16)21(30-29-20)22(32)28-18-2-1-6-26-12-18;24-23-26-12-18(13-27-23)28-22(32)21-19-9-16(4-5-20(19)29-30-21)17-8-15(10-25-11-17)14-31-6-2-1-3-7-31;29-22(25-17-4-3-7-23-13-17)21-19-11-15(5-6-20(19)26-27-21)16-10-18(14-24-12-16)28-8-1-2-9-28/h7-10,15-19H,1-6,11-14,20H2,(H,32,37)(H,33,34);3-6,11-15H,1-2,7-10,16-17H2,(H,32,37)(H,33,34);4-7,14-18H,2-3,8-13H2,1H3,(H,30,36)(H,31,32);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);4-7,10-14H,1-3,8-9,15H2,(H,26,31)(H,27,32)(H,28,29);1-4,6,8-12H,5,7,13-14H2,(H,28,32)(H,29,30);4-5,8-13H,1-3,6-7,14H2,(H,28,32)(H,29,30)(H2,24,26,27);3-7,10-14H,1-2,8-9H2,(H,25,29)(H,26,27) |
| InChIKey | JUDPABKIVLZUBD-UHFFFAOYSA-N |
| XLogP | 40.00 |
| TPSA | 995.68 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 338 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4560.33 |
| LogP ≤ 5 | 40.00 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 61 |