3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C20H21N5O2 — CID 56913773

About 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56913773) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• PubChem CID: 56913773
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• SMILES: CN1CC2(CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)OC1=O
• InChI: InChI=1S/C20H21N5O2/c1-23-13-20(27-19(23)26)7-8-24(14-20)11-15-9-21-18-17(10-22-25(18)12-15)16-5-3-2-4-6-16/h2-6,9-10,12H,7-8,11,13-14H2,1H3
• InChIKey: BOXYCQVXEFPDHT-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 62.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The IUPAC name of 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56913773) is 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

What is the SMILES notation for 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The canonical SMILES for 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)OC1=O.

What is the InChIKey of 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The InChIKey is BOXYCQVXEFPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23-13-20(27-19(23)26)7-8-24(14-20)11-15-9-21-18-17(10-22-25(18)12-15)16-5-3-2-4-6-16/h2-6,9-10,12H,7-8,11,13-14H2,1H3.

What are the key properties of 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56913773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).