C127H148F2N36O7 — CID 159696676
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane (PubChem CID 159696676) has the molecular formula C127H148F2N36O7 and a molecular weight of 2328.82 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane |
|---|---|
| PubChem CID | 159696676 |
| Molecular Formula | C127H148F2N36O7 |
| Molecular Weight | 2328.82 g/mol |
| Exact Mass | 2327.23 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane |
| SMILES | C.C.C.C.C.CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)nc4)c3c2)c1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C26H27F2N7O.C25H27N7O.C24H25N7O2.C24H25N7O.C23H24N8O2.5CH4/c1-34(2)23-6-4-20(15-30-23)31-25(36)24-21-12-18(3-5-22(21)32-33-24)19-11-17(13-29-14-19)16-35-9-7-26(27,28)8-10-35;1-31(2)23-9-7-19(15-27-23)28-25(33)24-21-13-17(6-8-22(21)29-30-24)18-12-20(16-26-14-18)32-10-4-3-5-11-32;1-30(2)22-6-4-18(14-26-22)27-24(32)23-20-12-16(3-5-21(20)28-29-23)17-11-19(15-25-13-17)31-7-9-33-10-8-31;1-30(2)22-8-6-18(14-26-22)27-24(32)23-20-12-16(5-7-21(20)28-29-23)17-11-19(15-25-13-17)31-9-3-4-10-31;1-30(2)20-8-6-16(13-25-20)26-22(32)21-18-10-14(5-7-19(18)28-29-21)15-9-17(12-24-11-15)27-23(33)31(3)4;;;;;/h3-6,11-15H,7-10,16H2,1-2H3,(H,31,36)(H,32,33);6-9,12-16H,3-5,10-11H2,1-2H3,(H,28,33)(H,29,30);3-6,11-15H,7-10H2,1-2H3,(H,27,32)(H,28,29);5-8,11-15H,3-4,9-10H2,1-2H3,(H,27,32)(H,28,29);5-13H,1-4H3,(H,26,32)(H,27,33)(H,28,29);5*1H4 |
| InChIKey | MXCFBHIPIAPRPS-UHFFFAOYSA-N |
| XLogP | 22.62 |
| TPSA | 488.53 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2328.82 |
| LogP ≤ 5 | 22.62 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 31 |