About N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158437262) has the molecular formula C148H163F13N40O10
and a molecular weight of 2909.18 g/mol. Its IUPAC name is N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158437262) is N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(COCC1CC(Nc2ncnc3[nH]ncc23)C1)c1ccccc1.Fc1cccc(F)c1[C@@H](F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.Fc1cccc(F)c1[C@H](F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.Fc1ccccc1[C@@H](F)COCC1CC(Nc2ncnc3[nH]ncc23)C1.Fc1ccccc1[C@H](F)COCC1CC(Nc2ncnc3[nH]ncc23)C1.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.c1ccc(CCOCC2CC(Nc3ncnc4[nH]ncc34)C2)cc1.
What is the InChIKey of N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HCJPKYOQGSGMNC-ZYYIDGGDSA-N. The full InChI is InChI=1S/2C19H20F3N5O.2C19H22FN5O2.2C18H19F2N5O.C18H20FN5O.C18H21N5O/c2*20-14-2-1-3-15(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*20-16-4-2-1-3-14(16)17(26)10-27-13-7-5-12(6-8-13)24-18-15-9-23-25-19(15)22-11-21-18;2*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;19-16(13-4-2-1-3-5-13)10-25-9-12-6-14(7-12)23-17-15-8-22-24-18(15)21-11-20-17;1-2-4-13(5-3-1)6-7-24-11-14-8-15(9-14)22-17-16-10-21-23-18(16)20-12-19-17/h2*1-3,8,10-12,16H,4-7,9H2,(H2,23,24,25,26,27);2*1-4,9,11-13,17,26H,5-8,10H2,(H2,21,22,23,24,25);2*1-4,7,10-12,16H,5-6,8-9H2,(H2,21,22,23,24,25);1-5,8,11-12,14,16H,6-7,9-10H2,(H2,20,21,22,23,24);1-5,10,12,14-15H,6-9,11H2,(H2,19,20,21,22,23)/t2*11?,12?,16-;2*12?,13?,17-;2*11?,12?,16-;;/m101010../s1.
What are the key properties of N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2909.18 g/mol, XLogP of 26.99, 52 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-(2,6-difluorophenyl)-2-fluoroethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[3-[(2-fluoro-2-phenylethoxy)methyl]cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;(1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158437262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).