bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane

C70H70F3N15O8 — CID 163753250

About bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane

bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane (PubChem CID 163753250) has the molecular formula C70H70F3N15O8 and a molecular weight of 1306.42 g/mol. Its IUPAC name is bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane.

Molecular Properties

• Compound Name: bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane
• PubChem CID: 163753250
• Molecular Formula: C70H70F3N15O8
• Molecular Weight: 1306.42 g/mol
• Exact Mass: 1305.55
• IUPAC Name: bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane
• SMILES: C1CCOC1.Nc1ncnc2c1c(-c1ccc(Oc3ccc(F)cc3)cc1)nn2C1CCC(O)C1.Nc1ncnc2c1c(-c1ccc(Oc3ccc(F)cc3)cc1)nn2C1CCC(O)C1.Nc1ncnc2n[nH]c(-c3ccc(Oc4ccc(F)cc4)cc3)c12.OC1CCC(O)C1
• InChI: InChI=1S/2C22H20FN5O2.C17H12FN5O.C5H10O2.C4H8O/c2*23-14-3-9-18(10-4-14)30-17-7-1-13(2-8-17)20-19-21(24)25-12-26-22(19)28(27-20)15-5-6-16(29)11-15;18-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)15-14-16(19)20-9-21-17(14)23-22-15;6-4-1-2-5(7)3-4;1-2-4-5-3-1/h2*1-4,7-10,12,15-16,29H,5-6,11H2,(H2,24,25,26);1-9H,(H3,19,20,21,22,23);4-7H,1-3H2;1-4H2
• InChIKey: LRWBZAWXYQSNOI-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 337.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1306.42
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane?

The IUPAC name of bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane (CID 163753250) is bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane.

What is the SMILES notation for bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane?

The canonical SMILES for bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane is C1CCOC1.Nc1ncnc2c1c(-c1ccc(Oc3ccc(F)cc3)cc1)nn2C1CCC(O)C1.Nc1ncnc2c1c(-c1ccc(Oc3ccc(F)cc3)cc1)nn2C1CCC(O)C1.Nc1ncnc2n[nH]c(-c3ccc(Oc4ccc(F)cc4)cc3)c12.OC1CCC(O)C1.

What is the InChIKey of bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane?

The InChIKey is LRWBZAWXYQSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20FN5O2.C17H12FN5O.C5H10O2.C4H8O/c2*23-14-3-9-18(10-4-14)30-17-7-1-13(2-8-17)20-19-21(24)25-12-26-22(19)28(27-20)15-5-6-16(29)11-15;18-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)15-14-16(19)20-9-21-17(14)23-22-15;6-4-1-2-5(7)3-4;1-2-4-5-3-1/h2*1-4,7-10,12,15-16,29H,5-6,11H2,(H2,24,25,26);1-9H,(H3,19,20,21,22,23);4-7H,1-3H2;1-4H2.

What are the key properties of bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane?

bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane has a molecular weight of 1306.42 g/mol, XLogP of 12.41, 11 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[4-amino-3-[4-(4-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol);cyclopentane-1,3-diol;3-[4-(4-fluorophenoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;oxolane is sourced from PubChem (CID 163753250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).