C129H102F4N16O15 — CID 158217070
2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid (PubChem CID 158217070) has the molecular formula C129H102F4N16O15 and a molecular weight of 2192.32 g/mol. Its IUPAC name is 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid.
| Compound Name | 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid |
|---|---|
| PubChem CID | 158217070 |
| Molecular Formula | C129H102F4N16O15 |
| Molecular Weight | 2192.32 g/mol |
| Exact Mass | 2190.76 |
| IUPAC Name | 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid |
| SMILES | Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.Cc1ccc2cc(C(=O)Nc3ccc(Cn4nc(CC(=O)O)c5ccccc54)cc3)ccc2c1.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2cc(F)ccc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccc(F)cc12 |
| InChI | InChI=1S/C28H23N3O3.2C27H20FN3O3.C24H19F2N3O3.C23H20N4O3/c1-18-6-9-21-15-22(11-10-20(21)14-18)28(34)29-23-12-7-19(8-13-23)17-31-26-5-3-2-4-24(26)25(30-31)16-27(32)33;28-21-9-12-25-23(14-21)24(15-26(32)33)30-31(25)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;28-21-9-12-23-24(15-26(32)33)30-31(25(23)14-21)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;1-14-2-8-18(20(26)10-14)24(32)27-17-6-3-15(4-7-17)13-29-22-11-16(25)5-9-19(22)21(28-29)12-23(30)31;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30) |
| InChIKey | GCUCGDSDBSZDDJ-UHFFFAOYSA-N |
| XLogP | 24.16 |
| TPSA | 433.99 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2192.32 |
| LogP ≤ 5 | 24.16 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 21 |