About 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 157197393) has the molecular formula C120H133Cl3F2N20O14
and a molecular weight of 2223.86 g/mol. Its IUPAC name is 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid.
Frequently Asked Questions
What is the IUPAC name of 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid (CID 157197393) is 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid is CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(c4ccccn4)C(=O)C3(C)C)oc12.CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(c4ncc(-c5nn[nH]n5)cn4)CC3(C)C)oc12.CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)N3CCN(c4ccccn4)C(=O)C3(C)C)oc12.CC(C)[C@H](CC(=O)N1CCN(C(=O)c2cc3nc(C4CCC(C)(C)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O)C(=O)O.
What is the InChIKey of 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is AQKCVJVUIWGBFV-YDULTXHLSA-N. The full InChI is InChI=1S/C33H47N3O6.C29H29ClFN9O2.C29H28ClFN4O3.C29H29ClN4O3/c1-19(2)21(29(39)40)16-26(37)35-14-15-36(33(8,9)30(35)41)28(38)25-18-24-27(42-25)22(31(3,4)5)17-23(34-24)20-10-12-32(6,7)13-11-20;1-28(2,3)18-11-21(16-6-7-19(30)20(31)10-16)34-22-12-23(42-24(18)22)26(41)40-9-8-39(15-29(40,4)5)27-32-13-17(14-33-27)25-35-37-38-36-25;1-28(2,3)18-15-21(17-9-10-19(30)20(31)14-17)33-22-16-23(38-25(18)22)26(36)35-13-12-34(27(37)29(35,4)5)24-8-6-7-11-32-24;1-28(2,3)20-16-21(18-9-11-19(30)12-10-18)32-22-17-23(37-25(20)22)26(35)34-15-14-33(27(36)29(34,4)5)24-8-6-7-13-31-24/h17-21H,10-16H2,1-9H3,(H,39,40);6-7,10-14H,8-9,15H2,1-5H3,(H,35,36,37,38);6-11,14-16H,12-13H2,1-5H3;6-13,16-17H,14-15H2,1-5H3/t21-;;;/m0.../s1.
What are the key properties of 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 2223.86 g/mol, XLogP of 23.80, 16 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-pyridin-2-ylpiperazin-2-one;(2S)-4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 157197393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).