C239H242FN53O21 — CID 159573227
N-cyclopentyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;2-[3-fluoro-4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetic acid;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]ethanamine;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenyl]-N-propan-2-ylpropanamide;5-[[5-(4-methoxyphenyl)-4H-pyrazol-3-yl]methyl]-1H-indazole (PubChem CID 159573227) has the molecular formula C239H242FN53O21 and a molecular weight of 4211.91 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;2-[3-fluoro-4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetic acid;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]ethanamine;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenyl]-N-propan-2-ylpropanamide;5-[[5-(4-methoxyphenyl)-4H-pyrazol-3-yl]methyl]-1H-indazole.
| Compound Name | N-cyclopentyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;2-[3-fluoro-4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetic acid;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]ethanamine;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenyl]-N-propan-2-ylpropanamide;5-[[5-(4-methoxyphenyl)-4H-pyrazol-3-yl]methyl]-1H-indazole |
|---|---|
| PubChem CID | 159573227 |
| Molecular Formula | C239H242FN53O21 |
| Molecular Weight | 4211.91 g/mol |
| Exact Mass | 4208.95 |
| IUPAC Name | N-cyclopentyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;2-[3-fluoro-4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetic acid;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]ethanamine;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenyl]-N-propan-2-ylpropanamide;5-[[5-(4-methoxyphenyl)-4H-pyrazol-3-yl]methyl]-1H-indazole |
| SMILES | CC(C)NC(=O)C(C)Oc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.CC(C)NC(=O)CCOc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.CC(C)NC(=O)CCc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.CC(C)NC(=O)COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)c(F)c1.COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.Cc1cc(OCC(=O)NC(C)C)ccc1C1=NN=C(Cc2ccc3[nH]ncc3c2)C1.NCCOc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.O=C(COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1)NC1CC1.O=C(COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1)NC1CCCC1.O=C(COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1)NC1CCOC1.O=C(O)COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1 |
| InChI | InChI=1S/C24H25N5O2.C23H23N5O3.3C23H25N5O2.C23H25N5O.C22H22FN5O2.C22H21N5O2.C19H19N5O.C19H16N4O3.C18H16N4O/c30-24(26-19-3-1-2-4-19)15-31-21-8-6-17(7-9-21)23-13-20(27-29-23)12-16-5-10-22-18(11-16)14-25-28-22;29-23(25-18-7-8-30-13-18)14-31-20-4-2-16(3-5-20)22-11-19(26-28-22)10-15-1-6-21-17(9-15)12-24-27-21;1-14(2)25-23(29)15(3)30-20-7-5-17(6-8-20)22-12-19(26-28-22)11-16-4-9-21-18(10-16)13-24-27-21;1-14(2)25-23(29)13-30-19-5-6-20(15(3)8-19)22-11-18(26-28-22)10-16-4-7-21-17(9-16)12-24-27-21;1-15(2)25-23(29)9-10-30-20-6-4-17(5-7-20)22-13-19(26-28-22)12-16-3-8-21-18(11-16)14-24-27-21;1-15(2)25-23(29)10-6-16-3-7-18(8-4-16)22-13-20(26-28-22)12-17-5-9-21-19(11-17)14-24-27-21;1-13(2)25-22(29)12-30-17-4-5-18(19(23)10-17)21-9-16(26-28-21)8-14-3-6-20-15(7-14)11-24-27-20;28-22(24-17-4-5-17)13-29-19-6-2-15(3-7-19)21-11-18(25-27-21)10-14-1-8-20-16(9-14)12-23-26-20;20-7-8-25-17-4-2-14(3-5-17)19-11-16(22-24-19)10-13-1-6-18-15(9-13)12-21-23-18;24-19(25)11-26-16-4-2-13(3-5-16)18-9-15(21-23-18)8-12-1-6-17-14(7-12)10-20-22-17;1-23-16-5-3-13(4-6-16)18-10-15(20-22-18)9-12-2-7-17-14(8-12)11-19-21-17/h5-11,14,19H,1-4,12-13,15H2,(H,25,28)(H,26,30);1-6,9,12,18H,7-8,10-11,13-14H2,(H,24,27)(H,25,29);4-10,13-15H,11-12H2,1-3H3,(H,24,27)(H,25,29);4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)(H,25,29);3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,27)(H,25,29);3-5,7-9,11,14-15H,6,10,12-13H2,1-2H3,(H,24,27)(H,25,29);3-7,10-11,13H,8-9,12H2,1-2H3,(H,24,27)(H,25,29);1-3,6-9,12,17H,4-5,10-11,13H2,(H,23,26)(H,24,28);1-6,9,12H,7-8,10-11,20H2,(H,21,23);1-7,10H,8-9,11H2,(H,20,22)(H,24,25);2-8,11H,9-10H2,1H3,(H,19,21) |
| InChIKey | MIBUJRDGCLTSLU-UHFFFAOYSA-N |
| XLogP | 36.38 |
| TPSA | 985.05 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 314 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4211.91 |
| LogP ≤ 5 | 36.38 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 54 |