C172H172F4N46O10S — CID 158688543
N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-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;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158688543) has the molecular formula C172H172F4N46O10S and a molecular weight of 3151.64 g/mol. Its IUPAC name is N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-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;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-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;N-[6-(azetidin-1-yl)-3-pyridinyl]-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;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158688543 |
| Molecular Formula | C172H172F4N46O10S |
| Molecular Weight | 3151.64 g/mol |
| Exact Mass | 3149.40 |
| IUPAC Name | N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-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;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-pyridin-3-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | 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(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)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/C27H27F2N7O.C27H29N7O.C25H26N6O3S.C25H26N6O2.C23H20F2N6O.C23H24N8O.C22H20N6O/c28-27(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;35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33;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;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/h3-6,11-15H,1-2,7-10,16-17H2,(H,32,37)(H,33,34);5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32);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);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 | IGAXLEQKRKEMDH-UHFFFAOYSA-N |
| XLogP | 28.33 |
| TPSA | 696.36 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 233 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3151.64 |
| LogP ≤ 5 | 28.33 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 42 |