C197H256Cl3F7N32O — CID 158495992
4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-2-chloro-5-methyl-1H-indole;4-tert-butyl-7-chloro-5-methyl-1H-indole;4-tert-butyl-3,7-difluoro-5-methyl-2H-indazole;4-tert-butyl-N,5-dimethyl-1H-indazol-3-amine;4-tert-butyl-7-fluoro-5-methyl-1H-indazol-3-amine;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-7-fluoro-5-methyl-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-1H-indole;7-tert-butyl-3-fluoro-6-methyl-1H-indole;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indol-3-amine;7-tert-butyl-6-methyl-1H-indole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 158495992) has the molecular formula C197H256Cl3F7N32O and a molecular weight of 3327.78 g/mol. Its IUPAC name is 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-2-chloro-5-methyl-1H-indole;4-tert-butyl-7-chloro-5-methyl-1H-indole;4-tert-butyl-3,7-difluoro-5-methyl-2H-indazole;4-tert-butyl-N,5-dimethyl-1H-indazol-3-amine;4-tert-butyl-7-fluoro-5-methyl-1H-indazol-3-amine;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-7-fluoro-5-methyl-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-1H-indole;7-tert-butyl-3-fluoro-6-methyl-1H-indole;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indol-3-amine;7-tert-butyl-6-methyl-1H-indole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine.
| Compound Name | 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-2-chloro-5-methyl-1H-indole;4-tert-butyl-7-chloro-5-methyl-1H-indole;4-tert-butyl-3,7-difluoro-5-methyl-2H-indazole;4-tert-butyl-N,5-dimethyl-1H-indazol-3-amine;4-tert-butyl-7-fluoro-5-methyl-1H-indazol-3-amine;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-7-fluoro-5-methyl-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-1H-indole;7-tert-butyl-3-fluoro-6-methyl-1H-indole;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indol-3-amine;7-tert-butyl-6-methyl-1H-indole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine |
|---|---|
| PubChem CID | 158495992 |
| Molecular Formula | C197H256Cl3F7N32O |
| Molecular Weight | 3327.78 g/mol |
| Exact Mass | 3323.99 |
| IUPAC Name | 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-2-chloro-5-methyl-1H-indole;4-tert-butyl-7-chloro-5-methyl-1H-indole;4-tert-butyl-3,7-difluoro-5-methyl-2H-indazole;4-tert-butyl-N,5-dimethyl-1H-indazol-3-amine;4-tert-butyl-7-fluoro-5-methyl-1H-indazol-3-amine;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-7-fluoro-5-methyl-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-1H-indole;7-tert-butyl-3-fluoro-6-methyl-1H-indole;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indol-3-amine;7-tert-butyl-6-methyl-1H-indole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine |
| SMILES | CNc1n[nH]c2ccc(C)c(C(C)(C)C)c12.Cc1cc(Cl)c2[nH]ccc2c1C(C)(C)C.Cc1cc(Cl)c2[nH]ncc2c1C(C)(C)C.Cc1cc(F)c2[nH]nc(N)c2c1C(C)(C)C.Cc1cc(F)c2[nH]ncc2c1C(C)(C)C.Cc1cc(F)c2n[nH]c(F)c2c1C(C)(C)C.Cc1ccc2[nH][nH]c(=O)c2c1C(C)(C)C.Cc1ccc2[nH]c(Cl)cc2c1C(C)(C)C.Cc1ccc2[nH]cc(F)c2c1C(C)(C)C.Cc1ccc2[nH]cc(N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2c(F)c[nH]c2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(F)c2c1C(C)(C)C.Cc1cnc2[nH]ncc2c1C(C)(C)C.Cc1ncc2[nH]ncc2c1C(C)(C)C |
| InChI | InChI=1S/2C13H16ClN.2C13H16FN.C13H19N3.C13H18N2.C13H17N.C12H15ClN2.C12H14F2N2.C12H16FN3.2C12H15FN2.C12H17N3.C12H16N2O.2C11H15N3/c1-8-7-10(14)12-9(5-6-15-12)11(8)13(2,3)4;1-8-5-6-10-9(7-11(14)15-10)12(8)13(2,3)4;1-8-5-6-10-11(9(14)7-15-10)12(8)13(2,3)4;1-8-5-6-9-10(14)7-15-12(9)11(8)13(2,3)4;1-8-6-7-9-10(11(8)13(2,3)4)12(14-5)16-15-9;1-8-5-6-10-11(9(14)7-15-10)12(8)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-7-5-9(13)11-8(6-14-15-11)10(7)12(2,3)4;2*1-6-5-7(13)10-8(11(14)16-15-10)9(6)12(2,3)4;1-7-5-9(13)11-8(6-14-15-11)10(7)12(2,3)4;2*1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-7-5-6-8-9(11(15)14-13-8)10(7)12(2,3)4;1-7-10(11(2,3)4)8-5-13-14-9(8)6-12-7;1-7-5-12-10-8(6-13-14-10)9(7)11(2,3)4/h4*5-7,15H,1-4H3;6-7H,1-5H3,(H2,14,15,16);5-7,15H,14H2,1-4H3;5-8,14H,1-4H3;5-6H,1-4H3,(H,14,15);5H,1-4H3,(H,15,16);5H,1-4H3,(H3,14,15,16);2*5-6H,1-4H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);5-6H,1-4H3,(H2,13,14,15);5-6H,1-4H3,(H,13,14);5-6H,1-4H3,(H,12,13,14) |
| InChIKey | HJHINICZVJHTPU-UHFFFAOYSA-N |
| XLogP | 54.14 |
| TPSA | 517.38 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 240 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3327.78 |
| LogP ≤ 5 | 54.14 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 16 |