C206H243Cl3F8N42O4 — CID 161121071
3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;bis(6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole);5-methoxy-3-propan-2-yl-2H-indazole;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 161121071) has the molecular formula C206H243Cl3F8N42O4 and a molecular weight of 3629.84 g/mol. Its IUPAC name is 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;bis(6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole);5-methoxy-3-propan-2-yl-2H-indazole;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.
| Compound Name | 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;bis(6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole);5-methoxy-3-propan-2-yl-2H-indazole;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine |
|---|---|
| PubChem CID | 161121071 |
| Molecular Formula | C206H243Cl3F8N42O4 |
| Molecular Weight | 3629.84 g/mol |
| Exact Mass | 3625.90 |
| IUPAC Name | 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;bis(6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole);5-methoxy-3-propan-2-yl-2H-indazole;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine |
| SMILES | CC(C)(C)c1[nH]nc2c(Cl)cccc12.CC(C)(C)c1[nH]nc2c(F)cccc12.CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(Cl)ccc12.CC(C)(C)c1[nH]nc2cc(F)c(F)cc12.CC(C)(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(Cl)cc12.CC(C)c1[nH]nc2ccncc12.CC(C)c1nn(C(C)C)c2cc(F)ccc12.CC(C)c1nn(C(C)C)c2ccc(F)cc12.CC(C)c1nn(C2COC2)c2cc(F)ccc12.CC(C)c1nn(C2COC2)c2cc(F)ccc12.CCn1nc(C(C)C)c2ccc(F)cc21.COc1ccc2c(C(C)(C)C)[nH]nc2c1.COc1ccc2n[nH]c(C(C)C)c2c1 |
| InChI | InChI=1S/2C13H15FN2O.2C13H17FN2.C12H15FN2.2C12H13N3.C12H16N2O.2C11H13ClN2.C11H12F2N2.C11H13FN2.2C11H11N3.C11H14N2O.C10H11ClN2.C10H13N3.C9H11N3/c2*1-8(2)13-11-4-3-9(14)5-12(11)16(15-13)10-6-17-7-10;1-8(2)13-11-7-10(14)5-6-12(11)16(15-13)9(3)4;1-8(2)13-11-6-5-10(14)7-12(11)16(15-13)9(3)4;1-4-15-11-7-9(13)5-6-10(11)12(14-15)8(2)3;2*1-12(2,3)11-9-5-4-8(7-13)6-10(9)14-15-11;1-12(2,3)11-9-6-5-8(15-4)7-10(9)13-14-11;1-11(2,3)10-8-5-4-7(12)6-9(8)13-14-10;1-11(2,3)10-7-5-4-6-8(12)9(7)13-14-10;1-11(2,3)10-6-4-7(12)8(13)5-9(6)14-15-10;1-11(2,3)10-7-5-4-6-8(12)9(7)13-14-10;2*1-7(2)11-9-5-8(6-12)3-4-10(9)13-14-11;1-7(2)11-9-6-8(14-3)4-5-10(9)12-13-11;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-6(2)9-7-5-10-4-3-8(7)11-12-9/h2*3-5,8,10H,6-7H2,1-2H3;2*5-9H,1-4H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-5H,1-3H3,(H,14,15);4-6H,1-3H3,(H,13,14);2*3-5,7H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13);4-6H,1-3H3,(H,12,13);3-6H,1-2H3,(H,11,12) |
| InChIKey | UKYNBVABMRKOSQ-UHFFFAOYSA-N |
| XLogP | 53.80 |
| TPSA | 619.80 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 263 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3629.84 |
| LogP ≤ 5 | 53.80 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 33 |