(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C17H21N5O3 — CID 124814156

About (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124814156) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 124814156
• Molecular Formula: C17H21N5O3
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.16
• IUPAC Name: (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2ccn(C)n2)C3)n1
• InChI: InChI=1S/C17H21N5O3/c1-12-3-6-18-16(19-12)25-13-5-8-24-17(9-13)10-22(11-17)15(23)14-4-7-21(2)20-14/h3-4,6-7,13H,5,8-11H2,1-2H3/t13-/m0/s1
• InChIKey: BQDWBUUIFRZMOL-ZDUSSCGKSA-N
• XLogP: 0.97
• TPSA: 82.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124814156) is (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2ccn(C)n2)C3)n1.

What is the InChIKey of (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is BQDWBUUIFRZMOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-3-6-18-16(19-12)25-13-5-8-24-17(9-13)10-22(11-17)15(23)14-4-7-21(2)20-14/h3-4,6-7,13H,5,8-11H2,1-2H3/t13-/m0/s1.

What are the key properties of (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124814156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).