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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C110H119F11N30O6 — CID 160985771

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;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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 160985771) has the molecular formula C110H119F11N30O6 and a molecular weight of 2166.34 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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 160985771
• Molecular Formula: C110H119F11N30O6
• Molecular Weight: 2166.34 g/mol
• Exact Mass: 2164.98
• IUPAC Name: 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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: 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.c1ccc(CCOCC2CC(Nc3ncnc4[nH]ncc34)C2)cc1
• InChI: InChI=1S/2C19H20F3N5O.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*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*1-4,7,10-12,16H,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)/t4*11?,12?,16-;;/m1010../s1
• InChIKey: TTYLJAMOTZWSMH-TUZJDTKWSA-N
• XLogP: 21.06
• TPSA: 454.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.34
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 160985771) 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;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;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;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.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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is TTYLJAMOTZWSMH-TUZJDTKWSA-N. The full InChI is InChI=1S/2C19H20F3N5O.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*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*1-4,7,10-12,16H,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)/t4*11?,12?,16-;;/m1010../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;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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2166.34 g/mol, XLogP of 21.06, 40 rotatable bonds, 12 hydrogen bond donors, and 30 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;N-[3-(2-phenylethoxymethyl)cyclobutyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160985771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).