2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol

C145H168F10N40O11 — CID 158767484

About 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol

2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol (PubChem CID 158767484) has the molecular formula C145H168F10N40O11 and a molecular weight of 2837.19 g/mol. Its IUPAC name is 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol
• PubChem CID: 158767484
• Molecular Formula: C145H168F10N40O11
• Molecular Weight: 2837.19 g/mol
• Exact Mass: 2835.37
• IUPAC Name: 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol
• SMILES: CC(F)(F)C(=O)[O-].COc1ccccc1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1.Cc1ccccc1C(F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.Fc1c(F)c(F)c(CCOC2CCC(Nc3ncnc4[nH]ncc34)CC2)c(F)c1F.Fc1ccccc1C(F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.OC1CCC(Nc2ncnc3[nH]ncc23)CC1.c1ccc(COC2CCC(Nc3[nH+]cnc4[nH]ncc34)CC2)cc1.c1ccc(COC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(OC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
• InChI: InChI=1S/C20H24FN5O.C20H25N5O2.C19H18F5N5O.C19H21F2N5O.2C18H21N5O.C17H19N5O.C11H15N5O.C3H4F2O2/c1-13-4-2-3-5-16(13)18(21)11-27-15-8-6-14(7-9-15)25-19-17-10-24-26-20(17)23-12-22-19;1-26-18-5-3-2-4-14(18)10-11-27-16-8-6-15(7-9-16)24-19-17-12-23-25-20(17)22-13-21-19;20-13-11(14(21)16(23)17(24)15(13)22)5-6-30-10-3-1-9(2-4-10)28-18-12-7-27-29-19(12)26-8-25-18;20-16-4-2-1-3-14(16)17(21)10-27-13-7-5-12(6-8-13)25-18-15-9-24-26-19(15)23-11-22-18;2*1-2-4-13(5-3-1)11-24-15-8-6-14(7-9-15)22-17-16-10-21-23-18(16)20-12-19-17;1-2-4-13(5-3-1)23-14-8-6-12(7-9-14)21-16-15-10-20-22-17(15)19-11-18-16;17-8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10;1-3(4,5)2(6)7/h2-5,10,12,14-15,18H,6-9,11H2,1H3,(H2,22,23,24,25,26);2-5,12-13,15-16H,6-11H2,1H3,(H2,21,22,23,24,25);7-10H,1-6H2,(H2,25,26,27,28,29);1-4,9,11-13,17H,5-8,10H2,(H2,22,23,24,25,26);2*1-5,10,12,14-15H,6-9,11H2,(H2,19,20,21,22,23);1-5,10-12,14H,6-9H2,(H2,18,19,20,21,22);5-8,17H,1-4H2,(H2,12,13,14,15,16);1H3,(H,6,7)
• InChIKey: IPLDUAOOHOCDES-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 667.37 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2837.19
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol?

The IUPAC name of 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol (CID 158767484) is 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol.

What is the SMILES notation for 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol?

The canonical SMILES for 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol is CC(F)(F)C(=O)[O-].COc1ccccc1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1.Cc1ccccc1C(F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.Fc1c(F)c(F)c(CCOC2CCC(Nc3ncnc4[nH]ncc34)CC2)c(F)c1F.Fc1ccccc1C(F)COC1CCC(Nc2ncnc3[nH]ncc23)CC1.OC1CCC(Nc2ncnc3[nH]ncc23)CC1.c1ccc(COC2CCC(Nc3[nH+]cnc4[nH]ncc34)CC2)cc1.c1ccc(COC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(OC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.

What is the InChIKey of 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol?

The InChIKey is IPLDUAOOHOCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O.C20H25N5O2.C19H18F5N5O.C19H21F2N5O.2C18H21N5O.C17H19N5O.C11H15N5O.C3H4F2O2/c1-13-4-2-3-5-16(13)18(21)11-27-15-8-6-14(7-9-15)25-19-17-10-24-26-20(17)23-12-22-19;1-26-18-5-3-2-4-14(18)10-11-27-16-8-6-15(7-9-16)24-19-17-12-23-25-20(17)22-13-21-19;20-13-11(14(21)16(23)17(24)15(13)22)5-6-30-10-3-1-9(2-4-10)28-18-12-7-27-29-19(12)26-8-25-18;20-16-4-2-1-3-14(16)17(21)10-27-13-7-5-12(6-8-13)25-18-15-9-24-26-19(15)23-11-22-18;2*1-2-4-13(5-3-1)11-24-15-8-6-14(7-9-15)22-17-16-10-21-23-18(16)20-12-19-17;1-2-4-13(5-3-1)23-14-8-6-12(7-9-14)21-16-15-10-20-22-17(15)19-11-18-16;17-8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10;1-3(4,5)2(6)7/h2-5,10,12,14-15,18H,6-9,11H2,1H3,(H2,22,23,24,25,26);2-5,12-13,15-16H,6-11H2,1H3,(H2,21,22,23,24,25);7-10H,1-6H2,(H2,25,26,27,28,29);1-4,9,11-13,17H,5-8,10H2,(H2,22,23,24,25,26);2*1-5,10,12,14-15H,6-9,11H2,(H2,19,20,21,22,23);1-5,10-12,14H,6-9H2,(H2,18,19,20,21,22);5-8,17H,1-4H2,(H2,12,13,14,15,16);1H3,(H,6,7).

What are the key properties of 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol?

2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol has a molecular weight of 2837.19 g/mol, XLogP of 25.05, 42 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropanoate;N-[4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-fluoro-2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2-methoxyphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-(4-phenylmethoxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-4-amine;4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 158767484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).