About N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 161334968) has the molecular formula C132H148F11N35O7
and a molecular weight of 2545.85 g/mol. Its IUPAC name is N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 161334968) is N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.F[C@@H](CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C[C@@H]1F)c1ccccc1.F[C@@H]1C[C@H](Nc2ncnc3[nH]ncc23)CC[C@H]1OCCc1ccccc1.F[C@H](CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C[C@@H]1F)c1ccccc1.F[C@H]1C[C@@H](Nc2ncnc3[nH]ncc23)CC[C@@H]1OCCc1ccccc1.Fc1cccc(F)c1C(F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.Fc1ccccc1C(F)COCC1CC(Nc2ncnc3[nH]ncc23)C1.
What is the InChIKey of N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VLXJAJKBAWCQSU-YPLXYLPKSA-N. The full InChI is InChI=1S/C19H20F3N5O.2C19H21F2N5O.2C19H22FN5O.C19H23N5O.C18H19F2N5O/c20-14-2-1-3-15(21)17(14)16(22)9-28-12-6-4-11(5-7-12)26-18-13-8-25-27-19(13)24-10-23-18;2*20-15-8-13(25-18-14-9-24-26-19(14)23-11-22-18)6-7-17(15)27-10-16(21)12-4-2-1-3-5-12;2*20-16-10-14(24-18-15-11-23-25-19(15)22-12-21-18)6-7-17(16)26-9-8-13-4-2-1-3-5-13;1-13-2-4-14(5-3-13)8-9-25-16-7-6-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18;19-15-4-2-1-3-13(15)16(20)9-26-8-11-5-12(6-11)24-17-14-7-23-25-18(14)22-10-21-17/h1-3,8,10-12,16H,4-7,9H2,(H2,23,24,25,26,27);2*1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26);2*1-5,11-12,14,16-17H,6-10H2,(H2,21,22,23,24,25);2-5,11-12,15-16H,6-10H2,1H3,(H2,20,21,22,23,24);1-4,7,10-12,16H,5-6,8-9H2,(H2,21,22,23,24,25)/t;13-,15-,16+,17-;13-,15-,16-,17-;2*14-,16-,17-;15-,16-;/m.00100./s1.
What are the key properties of N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2545.85 g/mol, XLogP of 24.81, 43 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S,4S)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-(2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161334968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).