C122H116F3N27O5 — CID 158350258
N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158350258) has the molecular formula C122H116F3N27O5 and a molecular weight of 2097.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158350258 |
| Molecular Formula | C122H116F3N27O5 |
| Molecular Weight | 2097.45 g/mol |
| Exact Mass | 2095.96 |
| IUPAC Name | N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3c2)c1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C25H26N6O.C25H22N6O.C25H25N5O.C24H23N5O.C23H20F3N5O/c1-17-5-7-21(15-27-17)28-25(32)24-22-12-19(6-8-23(22)29-30-24)20-11-18(13-26-14-20)16-31-9-3-2-4-10-31;26-13-17-3-6-21(7-4-17)28-25(32)24-22-12-19(5-8-23(22)29-30-24)20-11-18(14-27-15-20)16-31-9-1-2-10-31;31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;30-24(26-20-6-2-1-3-7-20)23-21-13-18(8-9-22(21)27-28-23)19-12-17(14-25-15-19)16-29-10-4-5-11-29;1-31(2)13-14-9-16(12-27-11-14)15-3-8-20-19(10-15)21(30-29-20)22(32)28-18-6-4-17(5-7-18)23(24,25)26/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);3-8,11-12,14-15H,1-2,9-10,16H2,(H,28,32)(H,29,30);1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);1-3,6-9,12-15H,4-5,10-11,16H2,(H,26,30)(H,27,28);3-12H,13H2,1-2H3,(H,28,32)(H,29,30) |
| InChIKey | GSFKPTJYKVFMGH-UHFFFAOYSA-N |
| XLogP | 23.20 |
| TPSA | 406.23 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2097.45 |
| LogP ≤ 5 | 23.20 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 22 |