C103H112F2N28O5 — CID 162228759
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 162228759) has the molecular formula C103H112F2N28O5 and a molecular weight of 1860.22 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 162228759 |
| Molecular Formula | C103H112F2N28O5 |
| Molecular Weight | 1860.22 g/mol |
| Exact Mass | 1858.93 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C27H29F2N7O.C26H29N7O.C25H27N7O2.C25H27N7O/c1-35(2)17-22-5-4-21(15-31-22)32-26(37)25-23-12-19(3-6-24(23)33-34-25)20-11-18(13-30-14-20)16-36-9-7-27(28,29)8-10-36;1-32(2)17-21-8-7-20(15-28-21)29-26(34)25-23-13-18(6-9-24(23)30-31-25)19-12-22(16-27-14-19)33-10-4-3-5-11-33;1-31(2)16-20-5-4-19(14-27-20)28-25(33)24-22-12-17(3-6-23(22)29-30-24)18-11-21(15-26-13-18)32-7-9-34-10-8-32;1-31(2)16-20-7-6-19(14-27-20)28-25(33)24-22-12-17(5-8-23(22)29-30-24)18-11-21(15-26-13-18)32-9-3-4-10-32/h3-6,11-15H,7-10,16-17H2,1-2H3,(H,32,37)(H,33,34);6-9,12-16H,3-5,10-11,17H2,1-2H3,(H,29,34)(H,30,31);3-6,11-15H,7-10,16H2,1-2H3,(H,28,33)(H,29,30);5-8,11-15H,3-4,9-10,16H2,1-2H3,(H,28,33)(H,29,30) |
| InChIKey | ZVCVVVORAHLKGM-UHFFFAOYSA-N |
| XLogP | 15.99 |
| TPSA | 369.39 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1860.22 |
| LogP ≤ 5 | 15.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |