About 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid
2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 157415132) has the molecular formula C126H144Cl3FN22O13
and a molecular weight of 2300.04 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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid.
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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 157415132) is 2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid.
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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid is CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)N3CCN(C(=O)[C@@H]4CC[C@H](C(=O)O)C4)CC3(C)C)oc12.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(c5ccc(-c6nn[nH]n6)cn5)CC4(C)C)cc3n2)CC1.Cc1c(C(=O)O)ccnc1N1CCN(C(=O)c2cc3nc(-c4ccc(Cl)c(F)c4)cc(C(C)(C)C)c3o2)C(C)(C)C1.Cc1ccc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)nc1C1=NN=NC1.
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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is BOTFHRZWTBJXDL-PNXFZTATSA-N. The full InChI is InChI=1S/C32H34ClN7O2.C32H42N8O2.C31H32ClFN4O4.C31H36ClN3O5/c1-19-7-12-27(36-28(19)25-17-34-38-37-25)39-13-14-40(32(5,6)18-39)30(41)26-16-24-29(42-26)22(31(2,3)4)15-23(35-24)20-8-10-21(33)11-9-20;1-30(2,3)22-16-23(20-10-12-31(4,5)13-11-20)34-24-17-25(42-27(22)24)29(41)40-15-14-39(19-32(40,6)7)26-9-8-21(18-33-26)28-35-37-38-36-28;1-17-19(29(39)40)9-10-34-27(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)18-7-8-21(32)22(33)13-18;1-30(2,3)22-15-23(18-8-10-21(32)11-9-18)33-24-16-25(40-26(22)24)28(37)35-13-12-34(17-31(35,4)5)27(36)19-6-7-20(14-19)29(38)39/h7-12,15-16H,13-14,17-18H2,1-6H3;8-9,16-18,20H,10-15,19H2,1-7H3,(H,35,36,37,38);7-10,13-15H,11-12,16H2,1-6H3,(H,39,40);8-11,15-16,19-20H,6-7,12-14,17H2,1-5H3,(H,38,39)/t;;;19-,20+/m...1/s1.
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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 2300.04 g/mol, XLogP of 25.92, 16 rotatable bonds, 3 hydrogen bond donors, and 27 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]-3-methylpyridine-4-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-methyl-6-(4H-triazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]methanone;cis-(1S,3R)-3-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 157415132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).