3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H23N7O — CID 139331005

About 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139331005) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 139331005
• Molecular Formula: C17H23N7O
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.20
• IUPAC Name: 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1cnn(C2CCCCO2)c1-c1nn(C(C)C)c2ncnc(N)c12
• InChI: InChI=1S/C17H23N7O/c1-10(2)23-17-13(16(18)19-9-20-17)14(22-23)15-11(3)8-21-24(15)12-6-4-5-7-25-12/h8-10,12H,4-7H2,1-3H3,(H2,18,19,20)
• InChIKey: CSSZYBGBDZPYBA-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 96.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139331005) is 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cnn(C2CCCCO2)c1-c1nn(C(C)C)c2ncnc(N)c12.

What is the InChIKey of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is CSSZYBGBDZPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)23-17-13(16(18)19-9-20-17)14(22-23)15-11(3)8-21-24(15)12-6-4-5-7-25-12/h8-10,12H,4-7H2,1-3H3,(H2,18,19,20).

What are the key properties of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139331005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).