5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C41H40N16O4 — CID 159099434

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159099434) has the molecular formula C41H40N16O4 and a molecular weight of 820.88 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159099434
• Molecular Formula: C41H40N16O4
• Molecular Weight: 820.88 g/mol
• Exact Mass: 820.34
• IUPAC Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(C=O)o2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)N3CCOCC3)c2)c2c(N)ncnc21
• InChI: InChI=1S/C17H18N6O2.C13H13N5.C11H9N5O2/c1-22-16-13(15(18)19-10-20-16)14(21-22)11-3-2-4-12(9-11)17(24)23-5-7-25-8-6-23;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;1-16-11-8(10(12)13-5-14-11)9(15-16)7-3-2-6(4-17)18-7/h2-4,9-10H,5-8H2,1H3,(H2,18,19,20);3-7H,1-2H3,(H2,14,15,16);2-5H,1H3,(H2,12,13,14)
• InChIKey: KDCAFIKQNGNIHC-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 268.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.88
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159099434) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(C=O)o2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)N3CCOCC3)c2)c2c(N)ncnc21.

What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is KDCAFIKQNGNIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.C13H13N5.C11H9N5O2/c1-22-16-13(15(18)19-10-20-16)14(21-22)11-3-2-4-12(9-11)17(24)23-5-7-25-8-6-23;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;1-16-11-8(10(12)13-5-14-11)9(15-16)7-3-2-6(4-17)18-7/h2-4,9-10H,5-8H2,1H3,(H2,18,19,20);3-7H,1-2H3,(H2,14,15,16);2-5H,1H3,(H2,12,13,14).

What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 820.88 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159099434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).