7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C22H34N6O2 — CID 131672362

About 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131672362) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131672362
• Molecular Formula: C22H34N6O2
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.27
• IUPAC Name: 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CCn1cc(CN2CC(c3cn(C(C)C)cn3)C3(CCN(CCOC)C3=O)C2)cn1
• InChI: InChI=1S/C22H34N6O2/c1-5-28-12-18(10-24-28)11-25-13-19(20-14-27(16-23-20)17(2)3)22(15-25)6-7-26(21(22)29)8-9-30-4/h10,12,14,16-17,19H,5-9,11,13,15H2,1-4H3
• InChIKey: KFHHDUKEZGUQSN-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 68.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131672362) is 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is CCn1cc(CN2CC(c3cn(C(C)C)cn3)C3(CCN(CCOC)C3=O)C2)cn1.

What is the InChIKey of 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is KFHHDUKEZGUQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-5-28-12-18(10-24-28)11-25-13-19(20-14-27(16-23-20)17(2)3)22(15-25)6-7-26(21(22)29)8-9-30-4/h10,12,14,16-17,19H,5-9,11,13,15H2,1-4H3.

What are the key properties of 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 414.55 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131672362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).