1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H30N6O2 — CID 137275457

About 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275457) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137275457
• Molecular Formula: C19H30N6O2
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.24
• IUPAC Name: 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC(CN4CCOCC4)C3)nc21
• InChI: InChI=1S/C19H30N6O2/c1-19(2,3)25-16-15(11-20-25)17(26)22-18(21-16)24-6-4-5-14(13-24)12-23-7-9-27-10-8-23/h11,14H,4-10,12-13H2,1-3H3,(H,21,22,26)
• InChIKey: OMZOLWCCBAPITP-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 79.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275457) is 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC(CN4CCOCC4)C3)nc21.

What is the InChIKey of 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is OMZOLWCCBAPITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-19(2,3)25-16-15(11-20-25)17(26)22-18(21-16)24-6-4-5-14(13-24)12-23-7-9-27-10-8-23/h11,14H,4-10,12-13H2,1-3H3,(H,21,22,26).

What are the key properties of 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 374.49 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).