C88H74ClF9N22O — CID 159662450
N-[4-(2-aminoethoxy)-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridine-2,4-diamine;N-[6-(2-chlorophenyl)-4-pyridin-4-yl-2-pyridinyl]-1H-indazol-3-amine;N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine (PubChem CID 159662450) has the molecular formula C88H74ClF9N22O and a molecular weight of 1662.15 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridine-2,4-diamine;N-[6-(2-chlorophenyl)-4-pyridin-4-yl-2-pyridinyl]-1H-indazol-3-amine;N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine.
| Compound Name | N-[4-(2-aminoethoxy)-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridine-2,4-diamine;N-[6-(2-chlorophenyl)-4-pyridin-4-yl-2-pyridinyl]-1H-indazol-3-amine;N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine |
|---|---|
| PubChem CID | 159662450 |
| Molecular Formula | C88H74ClF9N22O |
| Molecular Weight | 1662.15 g/mol |
| Exact Mass | 1660.60 |
| IUPAC Name | N-[4-(2-aminoethoxy)-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridine-2,4-diamine;N-[6-(2-chlorophenyl)-4-pyridin-4-yl-2-pyridinyl]-1H-indazol-3-amine;N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine |
| SMILES | Clc1ccccc1-c1cc(-c2ccncc2)cc(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1cc(N2CCNCC2)cc(Nc2n[nH]c3ccccc23)n1.NCCNc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)c1.NCCOc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)c1 |
| InChI | InChI=1S/C23H16ClN5.C23H21F3N6.C21H19F3N6.C21H18F3N5O/c24-19-7-3-1-5-17(19)21-13-16(15-9-11-25-12-10-15)14-22(26-21)27-23-18-6-2-4-8-20(18)28-29-23;24-23(25,26)18-7-3-1-5-16(18)20-13-15(32-11-9-27-10-12-32)14-21(28-20)29-22-17-6-2-4-8-19(17)30-31-22;22-21(23,24)16-7-3-1-5-14(16)18-11-13(26-10-9-25)12-19(27-18)28-20-15-6-2-4-8-17(15)29-30-20;22-21(23,24)16-7-3-1-5-14(16)18-11-13(30-10-9-25)12-19(26-18)27-20-15-6-2-4-8-17(15)28-29-20/h1-14H,(H2,26,27,28,29);1-8,13-14,27H,9-12H2,(H2,28,29,30,31);1-8,11-12H,9-10,25H2,(H3,26,27,28,29,30);1-8,11-12H,9-10,25H2,(H2,26,27,28,29) |
| InChIKey | MSZIJSBIVLESBT-UHFFFAOYSA-N |
| XLogP | 20.36 |
| TPSA | 315.86 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 121 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1662.15 |
| LogP ≤ 5 | 20.36 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 19 |