About 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone
2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 157457354) has the molecular formula C120H124Cl4F2N20O12
and a molecular weight of 2218.25 g/mol. Its IUPAC name is 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 157457354) is 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone is CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(c4ncccc4C(=O)O)CC3(C)C)oc12.CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)N3CCN(c4cccc(C5=NN=NC5)n4)CC3(C)C)oc12.CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)N3CCN(c4ccnnc4)CC3(C)C)oc12.Cc1ccc(C(=O)O)c(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n1.
What is the InChIKey of 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is BTNDCDRQCQFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClFN4O4.C31H32ClN7O2.C30H30ClFN4O4.C28H30ClN5O2/c1-17-7-9-19(29(39)40)27(34-17)36-11-12-37(31(5,6)16-36)28(38)25-15-24-26(41-25)20(30(2,3)4)14-23(35-24)18-8-10-21(32)22(33)13-18;1-30(2,3)21-15-23(19-9-11-20(32)12-10-19)34-24-16-26(41-28(21)24)29(40)39-14-13-38(18-31(39,4)5)27-8-6-7-22(35-27)25-17-33-37-36-25;1-29(2,3)19-14-22(17-8-9-20(31)21(32)13-17)34-23-15-24(40-25(19)23)27(37)36-12-11-35(16-30(36,4)5)26-18(28(38)39)7-6-10-33-26;1-27(2,3)21-14-22(18-6-8-19(29)9-7-18)32-23-15-24(36-25(21)23)26(35)34-13-12-33(17-28(34,4)5)20-10-11-30-31-16-20/h7-10,13-15H,11-12,16H2,1-6H3,(H,39,40);6-12,15-16H,13-14,17-18H2,1-5H3;6-10,13-15H,11-12,16H2,1-5H3,(H,38,39);6-11,14-16H,12-13,17H2,1-5H3.
What are the key properties of 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone?
2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 2218.25 g/mol, XLogP of 25.87, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-6-methylpyridine-3-carboxylic acid;2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethyl-4-pyridazin-4-ylpiperazin-1-yl)methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 157457354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).