1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C85H89F9N30O8 — CID 163414869

About 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 163414869) has the molecular formula C85H89F9N30O8 and a molecular weight of 1829.83 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 163414869
• Molecular Formula: C85H89F9N30O8
• Molecular Weight: 1829.83 g/mol
• Exact Mass: 1828.73
• IUPAC Name: 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: C.C=C(C)Oc1ccnc(Oc2nn(C3CC3)c3ncnc(N)c23)c1.C=C(C)Oc1ccnc(Oc2nn(C3CCC(F)(F)CC3)c3ncnc(N)c23)c1.Cc1cccc(Oc2nn(C3CCNCC3(F)F)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3CCCCC3(F)F)c3ncnc(N)c23)c1
• InChI: InChI=1S/C19H20F2N6O2.2C17H18F2N6O.C16H16N6O2.C15H13F3N6O2.CH4/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;1-10-3-2-4-11(7-10)26-16-13-14(20)22-9-23-15(13)25(24-16)12-5-6-21-8-17(12,18)19;1-10-5-7-21-12(8-10)26-16-13-14(20)22-9-23-15(13)25(24-16)11-4-2-3-6-17(11,18)19;1-9(2)23-11-5-6-18-12(7-11)24-16-13-14(17)19-8-20-15(13)22(21-16)10-3-4-10;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;/h5,8-10,12H,1,3-4,6-7H2,2H3,(H2,22,24,25);2-4,7,9,12,21H,5-6,8H2,1H3,(H2,20,22,23);5,7-9,11H,2-4,6H2,1H3,(H2,20,22,23);5-8,10H,1,3-4H2,2H3,(H2,17,19,20);2-4,7H,5-6H2,1H3,(H2,19,21,22);1H4
• InChIKey: ADNMSFVXNDQVFJ-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 485.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.83
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 163414869) is 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;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 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is C.C=C(C)Oc1ccnc(Oc2nn(C3CC3)c3ncnc(N)c23)c1.C=C(C)Oc1ccnc(Oc2nn(C3CCC(F)(F)CC3)c3ncnc(N)c23)c1.Cc1cccc(Oc2nn(C3CCNCC3(F)F)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1.Cc1ccnc(Oc2nn(C3CCCCC3(F)F)c3ncnc(N)c23)c1.

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

The InChIKey is ADNMSFVXNDQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2.2C17H18F2N6O.C16H16N6O2.C15H13F3N6O2.CH4/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;1-10-3-2-4-11(7-10)26-16-13-14(20)22-9-23-15(13)25(24-16)12-5-6-21-8-17(12,18)19;1-10-5-7-21-12(8-10)26-16-13-14(20)22-9-23-15(13)25(24-16)11-4-2-3-6-17(11,18)19;1-9(2)23-11-5-6-18-12(7-11)24-16-13-14(17)19-8-20-15(13)22(21-16)10-3-4-10;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;/h5,8-10,12H,1,3-4,6-7H2,2H3,(H2,22,24,25);2-4,7,9,12,21H,5-6,8H2,1H3,(H2,20,22,23);5,7-9,11H,2-4,6H2,1H3,(H2,20,22,23);5-8,10H,1,3-4H2,2H3,(H2,17,19,20);2-4,7H,5-6H2,1H3,(H2,19,21,22);1H4.

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

1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1829.83 g/mol, XLogP of 16.26, 19 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4,4-difluorocyclohexyl)-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,3-difluoropiperidin-4-yl)-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;methane;3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163414869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).