(1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone

C20H27N5O2 — CID 133137730

About (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone

(1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 133137730) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 133137730
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
• SMILES: CN1CCC(COCc2cccnc2)CC12CN(C(=O)c1cnn(C)c1)C2
• InChI: InChI=1S/C20H27N5O2/c1-23-7-5-16(12-27-13-17-4-3-6-21-9-17)8-20(23)14-25(15-20)19(26)18-10-22-24(2)11-18/h3-4,6,9-11,16H,5,7-8,12-15H2,1-2H3
• InChIKey: OFJZPBYMSJOVQC-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone (CID 133137730) is (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone is CN1CCC(COCc2cccnc2)CC12CN(C(=O)c1cnn(C)c1)C2.

What is the InChIKey of (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is OFJZPBYMSJOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-23-7-5-16(12-27-13-17-4-3-6-21-9-17)8-20(23)14-25(15-20)19(26)18-10-22-24(2)11-18/h3-4,6,9-11,16H,5,7-8,12-15H2,1-2H3.

What are the key properties of (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

(1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 133137730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).