5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C21H26N6O3 — CID 135491934

About 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135491934) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• PubChem CID: 135491934
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• SMILES: CCCOc1ncc(C(C)=O)cc1-c1nc2c(CCC)n(C3CNC3)nc2c(=O)[nH]1
• InChI: InChI=1S/C21H26N6O3/c1-4-6-16-17-18(26-27(16)14-10-22-11-14)20(29)25-19(24-17)15-8-13(12(3)28)9-23-21(15)30-7-5-2/h8-9,14,22H,4-7,10-11H2,1-3H3,(H,24,25,29)
• InChIKey: QYLKBUCWXBJAGB-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The IUPAC name of 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135491934) is 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

What is the SMILES notation for 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The canonical SMILES for 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ncc(C(C)=O)cc1-c1nc2c(CCC)n(C3CNC3)nc2c(=O)[nH]1.

What is the InChIKey of 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The InChIKey is QYLKBUCWXBJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-6-16-17-18(26-27(16)14-10-22-11-14)20(29)25-19(24-17)15-8-13(12(3)28)9-23-21(15)30-7-5-2/h8-9,14,22H,4-7,10-11H2,1-3H3,(H,24,25,29).

What are the key properties of 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 410.48 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(azetidin-3-yl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135491934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).