C92H90F12N18 — CID 157392101
2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 157392101) has the molecular formula C92H90F12N18 and a molecular weight of 1675.83 g/mol. Its IUPAC name is 2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.
| Compound Name | 2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine |
|---|---|
| PubChem CID | 157392101 |
| Molecular Formula | C92H90F12N18 |
| Molecular Weight | 1675.83 g/mol |
| Exact Mass | 1674.74 |
| IUPAC Name | 2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine |
| SMILES | Cc1cc(Nc2cc(-c3ccccc3C(F)(F)F)nc(C3CCCCC3)c2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3C(F)(F)F)nc(C3CCNCC3)c2)n[nH]1.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(C2CCCCC2)n1.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(C2CCNCC2)n1 |
| InChI | InChI=1S/C25H23F3N4.C24H22F3N5.C22H23F3N4.C21H22F3N5/c26-25(27,28)20-12-6-4-10-18(20)23-15-17(14-22(30-23)16-8-2-1-3-9-16)29-24-19-11-5-7-13-21(19)31-32-24;25-24(26,27)19-7-3-1-5-17(19)22-14-16(13-21(30-22)15-9-11-28-12-10-15)29-23-18-6-2-4-8-20(18)31-32-23;1-14-11-21(29-28-14)26-16-12-19(15-7-3-2-4-8-15)27-20(13-16)17-9-5-6-10-18(17)22(23,24)25;1-13-10-20(29-28-13)26-15-11-18(14-6-8-25-9-7-14)27-19(12-15)16-4-2-3-5-17(16)21(22,23)24/h4-7,10-16H,1-3,8-9H2,(H2,29,30,31,32);1-8,13-15,28H,9-12H2,(H2,29,30,31,32);5-6,9-13,15H,2-4,7-8H2,1H3,(H2,26,27,28,29);2-5,10-12,14,25H,6-9H2,1H3,(H2,26,27,28,29) |
| InChIKey | BMDABNJZZPDSNV-UHFFFAOYSA-N |
| XLogP | 24.89 |
| TPSA | 238.46 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1675.83 |
| LogP ≤ 5 | 24.89 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 14 |