C95H96F4N28O4 — CID 160913364
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 160913364) has the molecular formula C95H96F4N28O4 and a molecular weight of 1770.00 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160913364 |
| Molecular Formula | C95H96F4N28O4 |
| Molecular Weight | 1770.00 g/mol |
| Exact Mass | 1768.81 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.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(N)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C26H27F2N7O.C25H25F2N7O.C24H25N7O.C20H19N7O/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;1-33(2)22-6-4-19(13-29-22)30-24(35)23-20-10-17(3-5-21(20)31-32-23)18-9-16(11-28-12-18)14-34-8-7-25(26,27)15-34;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;1-27(2)18-6-4-15(11-23-18)24-20(28)19-16-8-12(3-5-17(16)25-26-19)13-7-14(21)10-22-9-13/h3-6,11-15H,7-10,16H2,1-2H3,(H,31,36)(H,32,33);3-6,9-13H,7-8,14-15H2,1-2H3,(H,30,35)(H,31,32);5-8,11-15H,3-4,9-10H2,1-2H3,(H,27,32)(H,28,29);3-11H,21H2,1-2H3,(H,24,28)(H,25,26) |
| InChIKey | SRBVTTFRVBLSEE-UHFFFAOYSA-N |
| XLogP | 15.61 |
| TPSA | 382.94 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 131 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1770.00 |
| LogP ≤ 5 | 15.61 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |