3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran

C₅₆H₆₃ClN₁₈O₆ — CID 157427969

About 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran

3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran (PubChem CID 157427969) has the molecular formula C₅₆H₆₃ClN₁₈O₆ and a molecular weight of 1119.69 g/mol. Its IUPAC name is 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

• Compound Name: 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran
• PubChem CID: 157427969
• Molecular Formula: C₅₆H₆₃ClN₁₈O₆
• Molecular Weight: 1119.69 g/mol
• Exact Mass: 1118.49
• IUPAC Name: 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran
• SMILES: C.CC1=CCOCC1.Nc1ncnc2c1c(Oc1cc(C3=CCOCC3)ccn1)nn2C1CC1.Nc1ncnc2c1c(Oc1cc(C3CCOCC3)ccn1)nn2C1CC1.Nc1ncnc2c1c(Oc1cc(Cl)ccn1)nn2C1CC1
• InChI: InChI=1S/C18H20N6O2.C18H18N6O2.C13H11ClN6O.C6H10O.CH4/c2*19-16-15-17(22-10-21-16)24(13-1-2-13)23-18(15)26-14-9-12(3-6-20-14)11-4-7-25-8-5-11;14-7-3-4-16-9(5-7)21-13-10-11(15)17-6-18-12(10)20(19-13)8-1-2-8;1-6-2-4-7-5-3-6;/h3,6,9-11,13H,1-2,4-5,7-8H2,(H2,19,21,22);3-4,6,9-10,13H,1-2,5,7-8H2,(H2,19,21,22);3-6,8H,1-2H2,(H2,15,17,18);2H,3-5H2,1H3;1H4
• InChIKey: BQELZYSBOSMMHY-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 302.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.69
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran?

The IUPAC name of 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran (CID 157427969) is 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran.

What is the SMILES notation for 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran?

The canonical SMILES for 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran is C.CC1=CCOCC1.Nc1ncnc2c1c(Oc1cc(C3=CCOCC3)ccn1)nn2C1CC1.Nc1ncnc2c1c(Oc1cc(C3CCOCC3)ccn1)nn2C1CC1.Nc1ncnc2c1c(Oc1cc(Cl)ccn1)nn2C1CC1.

What is the InChIKey of 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran?

The InChIKey is BQELZYSBOSMMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.C18H18N6O2.C13H11ClN6O.C6H10O.CH4/c2*19-16-15-17(22-10-21-16)24(13-1-2-13)23-18(15)26-14-9-12(3-6-20-14)11-4-7-25-8-5-11;14-7-3-4-16-9(5-7)21-13-10-11(15)17-6-18-12(10)20(19-13)8-1-2-8;1-6-2-4-7-5-3-6;/h3,6,9-11,13H,1-2,4-5,7-8H2,(H2,19,21,22);3-4,6,9-10,13H,1-2,5,7-8H2,(H2,19,21,22);3-6,8H,1-2H2,(H2,15,17,18);2H,3-5H2,1H3;1H4.

What are the key properties of 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran?

3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 1119.69 g/mol, XLogP of 10.13, 11 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chloro-2-pyridinyl)oxy]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopropyl-3-[[4-(oxan-4-yl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane;4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 157427969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157427969 — identifiers, structure, computed properties (public domain)

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