(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C₁₅H₂₂N₄O₂ — CID 163276674

About (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276674) has the molecular formula C₁₅H₂₂N₄O₂ and a molecular weight of 290.37 g/mol. Its IUPAC name is (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 163276674
• Molecular Formula: C₁₅H₂₂N₄O₂
• Molecular Weight: 290.37 g/mol
• Exact Mass: 290.17
• IUPAC Name: (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@@H]1COCCN1c1cc2n(n1)[C@@H](C1CCC1)CNC2=O
• InChI: InChI=1S/C15H22N4O2/c1-10-9-21-6-5-18(10)14-7-12-15(20)16-8-13(19(12)17-14)11-3-2-4-11/h7,10-11,13H,2-6,8-9H2,1H3,(H,16,20)/t10-,13-/m1/s1
• InChIKey: VFRNGGRQEQZAIO-ZWNOBZJWSA-N
• XLogP: 1.19
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.37
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276674) is (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1COCCN1c1cc2n(n1)[C@@H](C1CCC1)CNC2=O.

What is the InChIKey of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is VFRNGGRQEQZAIO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-9-21-6-5-18(10)14-7-12-15(20)16-8-13(19(12)17-14)11-3-2-4-11/h7,10-11,13H,2-6,8-9H2,1H3,(H,16,20)/t10-,13-/m1/s1.

What are the key properties of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 290.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163276674 — identifiers, structure, computed properties (public domain)

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