About 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole (PubChem CID 157464729) has the molecular formula C94H110F3N17O
and a molecular weight of 1551.03 g/mol. Its IUPAC name is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole.
Frequently Asked Questions
What is the IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole?
The IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole (CID 157464729) is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole.
What is the SMILES notation for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole?
The canonical SMILES for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole is CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.
What is the InChIKey of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole?
The InChIKey is BUIKGOLFMISDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.C17H22FN3.2C16H16FN3.C15H20O.C12H14N6/c1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11/h4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;4-9H,1-3H3,(H,18,19,20);4-9,19H,1-3H3;4-5,8,12-13H,6-7,9H2,1-3H3;4-7H,1-3H3,(H,14,15).
What are the key properties of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole?
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole has a molecular weight of 1551.03 g/mol, XLogP of 22.28, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole is sourced from PubChem (CID 157464729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).