1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H24N6O — CID 71932754

About 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 71932754) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 71932754
• Molecular Formula: C17H24N6O
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.20
• IUPAC Name: 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCCC1C1CCCN1c1ncnc2c1cnn2C
• InChI: InChI=1S/C17H24N6O/c1-3-15(24)22-8-4-6-13(22)14-7-5-9-23(14)17-12-10-20-21(2)16(12)18-11-19-17/h10-11,13-14H,3-9H2,1-2H3
• InChIKey: XBRSXNZAHSYFSX-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 71932754) is 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1C1CCCN1c1ncnc2c1cnn2C.

What is the InChIKey of 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is XBRSXNZAHSYFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-15(24)22-8-4-6-13(22)14-7-5-9-23(14)17-12-10-20-21(2)16(12)18-11-19-17/h10-11,13-14H,3-9H2,1-2H3.

What are the key properties of 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?

1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 71932754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).