(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one

C₁₆H₂₄N₄O₂ — CID 163276654

About (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one

(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one (PubChem CID 163276654) has the molecular formula C₁₆H₂₄N₄O₂ and a molecular weight of 304.39 g/mol. Its IUPAC name is (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one.

Molecular Properties

• Compound Name: (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one
• PubChem CID: 163276654
• Molecular Formula: C₁₆H₂₄N₄O₂
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.19
• IUPAC Name: (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one
• SMILES: CC(C)[C@H]1n2nc(N3CCOC[C@H]3C)cc2C(=O)NC12CC2
• InChI: InChI=1S/C16H24N4O2/c1-10(2)14-16(4-5-16)17-15(21)12-8-13(18-20(12)14)19-6-7-22-9-11(19)3/h8,10-11,14H,4-7,9H2,1-3H3,(H,17,21)/t11-,14-/m1/s1
• InChIKey: BOUSJPKIEBGQER-BXUZGUMPSA-N
• XLogP: 1.58
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one?

The IUPAC name of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one (CID 163276654) is (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one.

What is the SMILES notation for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one?

The canonical SMILES for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one is CC(C)[C@H]1n2nc(N3CCOC[C@H]3C)cc2C(=O)NC12CC2.

What is the InChIKey of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one?

The InChIKey is BOUSJPKIEBGQER-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10(2)14-16(4-5-16)17-15(21)12-8-13(18-20(12)14)19-6-7-22-9-11(19)3/h8,10-11,14H,4-7,9H2,1-3H3,(H,17,21)/t11-,14-/m1/s1.

What are the key properties of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one?

(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one has a molecular weight of 304.39 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one is sourced from PubChem (CID 163276654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163276654 — identifiers, structure, computed properties (public domain)

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