FDW

C₁₅H₁₆N₈O — CID 139207774

About FDW

FDW (PubChem CID 139207774) has the molecular formula C₁₅H₁₆N₈O and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: FDW
• PubChem CID: 139207774
• Molecular Formula: C₁₅H₁₆N₈O
• Molecular Weight: 324.35 g/mol
• Exact Mass: 324.14
• IUPAC Name: 3-(2-amino-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
• SMILES: CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc21
• InChI: InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21)
• InChIKey: HGZOUPKZPOAOOQ-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 147.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.35
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of FDW?

The IUPAC name of FDW (CID 139207774) is 3-(2-amino-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

What is the SMILES notation for FDW?

The canonical SMILES for FDW is CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc21.

What is the InChIKey of FDW?

The InChIKey is HGZOUPKZPOAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21).

What are the key properties of FDW?

FDW has a molecular weight of 324.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for FDW is sourced from PubChem (CID 139207774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139207774 — identifiers, structure, computed properties (public domain)

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