4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C100H114ClF10N25O6 — CID 159941569

IUPAC4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1ncnc2c1cnn2C1CCCCO1.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]1OC[C@H](F)c1ccccc1.F[C@H](CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C[C@H]1F)c1ccccc1.F[C@H](CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C[C@@H]1F)c1ccccc1.N[C@H]1CC[C@H](OC[C@@H](F)c2ccccc2)[C@@H](F)C1
InChIInChI=1S/4C19H21F2N5O.C14H19F2NO.C10H11ClN4O/c4*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;15-12-8-11(17)6-7-14(12)18-9-13(16)10-4-2-1-3-5-10;11-9-7-5-14-15(10(7)13-6-12-9)8-3-1-2-4-16-8/h4*1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26);1-5,11-14H,6-9,17H2;5-6,8H,1-4H2/t2*13-,15-,16+,17-;2*13-,15-,16-,17-;11-,12-,13+,14-;/m10100./s1
InChIKeyOAYHMXURNHSNIM-VRPMDSDHSA-N
MW1987.61 g/mol
LogP20.12
Rot. Bonds29

About 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 159941569) has the molecular formula C100H114ClF10N25O6 and a molecular weight of 1987.61 g/mol. Its IUPAC name is 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID159941569
Molecular FormulaC100H114ClF10N25O6
Molecular Weight1987.61 g/mol
Exact Mass1985.89
IUPAC Name4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1ncnc2c1cnn2C1CCCCO1.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]1OC[C@H](F)c1ccccc1.F[C@H](CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C[C@H]1F)c1ccccc1.F[C@H](CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C[C@@H]1F)c1ccccc1.N[C@H]1CC[C@H](OC[C@@H](F)c2ccccc2)[C@@H](F)C1
InChIInChI=1S/4C19H21F2N5O.C14H19F2NO.C10H11ClN4O/c4*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;15-12-8-11(17)6-7-14(12)18-9-13(16)10-4-2-1-3-5-10;11-9-7-5-14-15(10(7)13-6-12-9)8-3-1-2-4-16-8/h4*1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26);1-5,11-14H,6-9,17H2;5-6,8H,1-4H2/t2*13-,15-,16+,17-;2*13-,15-,16-,17-;11-,12-,13+,14-;/m10100./s1
InChIKeyOAYHMXURNHSNIM-VRPMDSDHSA-N
XLogP20.12
TPSA390.96 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001987.61
LogP ≤ 520.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

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-[(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
CID 161913785
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
CID 161913786
N-[(1S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 161913787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 159941569) is 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1ncnc2c1cnn2C1CCCCO1.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]1OC[C@H](F)c1ccccc1.F[C@H](CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C[C@H]1F)c1ccccc1.F[C@H](CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C[C@@H]1F)c1ccccc1.N[C@H]1CC[C@H](OC[C@@H](F)c2ccccc2)[C@@H](F)C1.
What is the InChIKey of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OAYHMXURNHSNIM-VRPMDSDHSA-N. The full InChI is InChI=1S/4C19H21F2N5O.C14H19F2NO.C10H11ClN4O/c4*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;15-12-8-11(17)6-7-14(12)18-9-13(16)10-4-2-1-3-5-10;11-9-7-5-14-15(10(7)13-6-12-9)8-3-1-2-4-16-8/h4*1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26);1-5,11-14H,6-9,17H2;5-6,8H,1-4H2/t2*13-,15-,16+,17-;2*13-,15-,16-,17-;11-,12-,13+,14-;/m10100./s1.
What are the key properties of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1987.61 g/mol, XLogP of 20.12, 29 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-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-[(1R,3R,4R)-3-fluoro-4-[(2R)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159941569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).