1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H23N7O2 — CID 137264528

About 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264528) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137264528
• Molecular Formula: C17H23N7O2
• Molecular Weight: 357.42 g/mol
• Exact Mass: 357.19
• IUPAC Name: 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)(C)n1ncc2c(=O)[nH]c(N3CCOC(Cn4cccn4)C3)nc21
• InChI: InChI=1S/C17H23N7O2/c1-17(2,3)24-14-13(9-19-24)15(25)21-16(20-14)22-7-8-26-12(10-22)11-23-6-4-5-18-23/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,21,25)
• InChIKey: YBBWGGLZRIXUBL-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 93.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.42
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264528) is 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(N3CCOC(Cn4cccn4)C3)nc21.

What is the InChIKey of 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is YBBWGGLZRIXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-17(2,3)24-14-13(9-19-24)15(25)21-16(20-14)22-7-8-26-12(10-22)11-23-6-4-5-18-23/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,21,25).

What are the key properties of 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 357.42 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).