bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol

C114H134F4N30O12 — CID 160784723

IUPACbis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
SMILESCc1ccc([C@@H](O)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.Cc1ccc([C@H](O)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F
InChIInChI=1S/4C19H22FN5O2.2C19H23N5O2/c4*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*1-12-2-4-13(5-3-12)17(25)10-26-15-7-6-14(8-15)23-18-16-9-22-24-19(16)21-11-20-18/h4*1-4,9,11-13,17,26H,5-8,10H2,(H2,21,22,23,24,25);2*2-5,9,11,14-15,17,25H,6-8,10H2,1H3,(H2,20,21,22,23,24)/t4*12?,13?,17-;14-,15-,17+;14-,15-,17-/m110000/s1
InChIKeySBBCJDVSHIETHL-PYJYZLQTSA-N
MW2192.52 g/mol
LogP17.35
Rot. Bonds36

About bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol

bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol (PubChem CID 160784723) has the molecular formula C114H134F4N30O12 and a molecular weight of 2192.52 g/mol. Its IUPAC name is bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol.

Molecular Properties

Compound Namebis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
PubChem CID160784723
Molecular FormulaC114H134F4N30O12
Molecular Weight2192.52 g/mol
Exact Mass2191.07
IUPAC Namebis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
SMILESCc1ccc([C@@H](O)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.Cc1ccc([C@H](O)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F
InChIInChI=1S/4C19H22FN5O2.2C19H23N5O2/c4*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*1-12-2-4-13(5-3-12)17(25)10-26-15-7-6-14(8-15)23-18-16-9-22-24-19(16)21-11-20-18/h4*1-4,9,11-13,17,26H,5-8,10H2,(H2,21,22,23,24,25);2*2-5,9,11,14-15,17,25H,6-8,10H2,1H3,(H2,20,21,22,23,24)/t4*12?,13?,17-;14-,15-,17+;14-,15-,17-/m110000/s1
InChIKeySBBCJDVSHIETHL-PYJYZLQTSA-N
XLogP17.35
TPSA575.70 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.52
LogP ≤ 517.35
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol with MolForge

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Related Compounds

N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 157094743
N-[(3R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-3-[(2R)-2-fluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-3-[(2S)-2-fluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 157657425
CID 157895562
CID 157895562
N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 158096879
N-(1-benzylpiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[1-(4-methylphenyl)propan-2-yl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(3-phenylpropyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanol
CID 160131199
CID 160327044
CID 160327044
N-[4-(2,2-difluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(4-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[1-(2-fluorophenyl)propan-2-yloxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[1-(4-fluorophenyl)propan-2-yloxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(4-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(3-phenylpropoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 161212178
CID 161249012
CID 161249012
N-[(2S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-2-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(2R,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-2-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-3-[(2R)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;(1R)-1-(4-methylphenyl)-2-[(1S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
CID 161716411
N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165014746
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
1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol
CID 158477044

Frequently Asked Questions

What is the IUPAC name of bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
The IUPAC name of bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol (CID 160784723) is bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol.
What is the SMILES notation for bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
The canonical SMILES for bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol is Cc1ccc([C@@H](O)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.Cc1ccc([C@H](O)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.O[C@H](COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1F.
What is the InChIKey of bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
The InChIKey is SBBCJDVSHIETHL-PYJYZLQTSA-N. The full InChI is InChI=1S/4C19H22FN5O2.2C19H23N5O2/c4*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*1-12-2-4-13(5-3-12)17(25)10-26-15-7-6-14(8-15)23-18-16-9-22-24-19(16)21-11-20-18/h4*1-4,9,11-13,17,26H,5-8,10H2,(H2,21,22,23,24,25);2*2-5,9,11,14-15,17,25H,6-8,10H2,1H3,(H2,20,21,22,23,24)/t4*12?,13?,17-;14-,15-,17+;14-,15-,17-/m110000/s1.
What are the key properties of bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol has a molecular weight of 2192.52 g/mol, XLogP of 17.35, 36 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1S)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);bis((1R)-1-(2-fluorophenyl)-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]oxyethanol);(1R)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol;(1S)-1-(4-methylphenyl)-2-[(1S,3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol is sourced from PubChem (CID 160784723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).