C106H110FN15O20 — CID 158797935
6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158797935) has the molecular formula C106H110FN15O20 and a molecular weight of 1933.13 g/mol. Its IUPAC name is 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
| Compound Name | 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid |
|---|---|
| PubChem CID | 158797935 |
| Molecular Formula | C106H110FN15O20 |
| Molecular Weight | 1933.13 g/mol |
| Exact Mass | 1931.80 |
| IUPAC Name | 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid |
| SMILES | Cc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CNCC2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN2CCC2)cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc21 |
| InChI | InChI=1S/C25H22FN3O4.2C21H23N3O4.C20H21N3O4.C19H21N3O4/c1-28-18(13-29-9-2-10-29)12-16-11-15(5-8-19(16)28)22-20(14-3-6-17(26)7-4-14)23(30)21(25(32)33)24(31)27-22;1-11-18(23-20(26)17(19(11)25)21(27)28)13-5-6-16-14(7-13)8-15(24(16)2)10-22-9-12-3-4-12;1-12-18(22-20(26)17(19(12)25)21(27)28)13-5-6-16-14(9-13)10-15(23(16)2)11-24-7-3-4-8-24;1-11-17(21-19(25)16(18(11)24)20(26)27)12-4-5-15-13(8-12)9-14(22(15)2)10-23-6-3-7-23;1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h3-8,11-12H,2,9-10,13H2,1H3,(H,32,33)(H2,27,30,31);5-8,12,22H,3-4,9-10H2,1-2H3,(H,27,28)(H2,23,25,26);5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26);4-5,8-9H,3,6-7,10H2,1-2H3,(H,26,27)(H2,21,24,25);5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24) |
| InChIKey | ITCFIMHRNHZYKY-UHFFFAOYSA-N |
| XLogP | 14.30 |
| TPSA | 501.59 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1933.13 |
| LogP ≤ 5 | 14.30 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 25 |