2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C82H81F11N30O9 — CID 163459843

About 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 163459843) has the molecular formula C82H81F11N30O9 and a molecular weight of 1839.73 g/mol. Its IUPAC name is 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 163459843
• Molecular Formula: C82H81F11N30O9
• Molecular Weight: 1839.73 g/mol
• Exact Mass: 1838.66
• IUPAC Name: 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: C=C(C)Oc1ccnc(Oc2nn(C3CCC(F)(F)CC3)c3ncnc(N)c23)c1.COc1ccnc(Oc2nn(C3CCCCC3O)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)CC3)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)CCC3)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1
• InChI: InChI=1S/C19H20F2N6O2.C17H20N6O3.C16H15F3N6O.C15H13F3N6O2.C15H13F3N6O/c1-11(2)28-13-5-8-23-14(9-13)29-18-15-16(22)24-10-25-17(15)27(26-18)12-3-6-19(20,21)7-4-12;1-25-10-6-7-19-13(8-10)26-17-14-15(18)20-9-21-16(14)23(22-17)11-4-2-3-5-12(11)24;1-9-3-6-21-10(7-9)26-14-11-12(20)22-8-23-13(11)25(24-14)15(4-2-5-15)16(17,18)19;1-8-2-3-20-9(4-8)26-13-10-11(19)21-7-22-12(10)24(23-13)14(5-25-6-14)15(16,17)18;1-8-2-5-20-9(6-8)25-13-10-11(19)21-7-22-12(10)24(23-13)14(3-4-14)15(16,17)18/h5,8-10,12H,1,3-4,6-7H2,2H3,(H2,22,24,25);6-9,11-12,24H,2-5H2,1H3,(H2,18,20,21);3,6-8H,2,4-5H2,1H3,(H2,20,22,23);2-4,7H,5-6H2,1H3,(H2,19,21,22);2,5-7H,3-4H2,1H3,(H2,19,21,22)
• InChIKey: BNQDIYCRWKBSCH-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 506.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1839.73
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 163459843) is 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is C=C(C)Oc1ccnc(Oc2nn(C3CCC(F)(F)CC3)c3ncnc(N)c23)c1.COc1ccnc(Oc2nn(C3CCCCC3O)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)CC3)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)CCC3)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1.

What is the InChIKey of 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is BNQDIYCRWKBSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2.C17H20N6O3.C16H15F3N6O.C15H13F3N6O2.C15H13F3N6O/c1-11(2)28-13-5-8-23-14(9-13)29-18-15-16(22)24-10-25-17(15)27(26-18)12-3-6-19(20,21)7-4-12;1-25-10-6-7-19-13(8-10)26-17-14-15(18)20-9-21-16(14)23(22-17)11-4-2-3-5-12(11)24;1-9-3-6-21-10(7-9)26-14-11-12(20)22-8-23-13(11)25(24-14)15(4-2-5-15)16(17,18)19;1-8-2-3-20-9(4-8)26-13-10-11(19)21-7-22-12(10)24(23-13)14(5-25-6-14)15(16,17)18;1-8-2-5-20-9(6-8)25-13-10-11(19)21-7-22-12(10)24(23-13)14(3-4-14)15(16,17)18/h5,8-10,12H,1,3-4,6-7H2,2H3,(H2,22,24,25);6-9,11-12,24H,2-5H2,1H3,(H2,18,20,21);3,6-8H,2,4-5H2,1H3,(H2,20,22,23);2-4,7H,5-6H2,1H3,(H2,19,21,22);2,5-7H,3-4H2,1H3,(H2,19,21,22).

What are the key properties of 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1839.73 g/mol, XLogP of 14.83, 18 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclobutyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[1-(trifluoromethyl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163459843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).