5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C16H20N6O2 — CID 135730637

About 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135730637) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• PubChem CID: 135730637
• Molecular Formula: C16H20N6O2
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.16
• IUPAC Name: 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• SMILES: CCCc1c2nc(-c3cc(N)cnc3OCC)[nH]c(=O)c2nn1C
• InChI: InChI=1S/C16H20N6O2/c1-4-6-11-12-13(21-22(11)3)15(23)20-14(19-12)10-7-9(17)8-18-16(10)24-5-2/h7-8H,4-6,17H2,1-3H3,(H,19,20,23)
• InChIKey: JESJTWRFUXZQNN-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The IUPAC name of 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135730637) is 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

What is the SMILES notation for 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The canonical SMILES for 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCc1c2nc(-c3cc(N)cnc3OCC)[nH]c(=O)c2nn1C.

What is the InChIKey of 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The InChIKey is JESJTWRFUXZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-4-6-11-12-13(21-22(11)3)15(23)20-14(19-12)10-7-9(17)8-18-16(10)24-5-2/h7-8H,4-6,17H2,1-3H3,(H,19,20,23).

What are the key properties of 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 328.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135730637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).