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

C19H25N5O3 — CID 133142531

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

(1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 133142531) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 133142531
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1ccnc(OCCC2CCOC3(C2)CN(C(=O)c2cnn(C)c2)C3)n1
• InChI: InChI=1S/C19H25N5O3/c1-14-3-6-20-18(22-14)26-7-4-15-5-8-27-19(9-15)12-24(13-19)17(25)16-10-21-23(2)11-16/h3,6,10-11,15H,4-5,7-9,12-13H2,1-2H3
• InChIKey: VTABZGBHAMVBJH-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 82.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 133142531) is (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

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

The canonical SMILES for (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1ccnc(OCCC2CCOC3(C2)CN(C(=O)c2cnn(C)c2)C3)n1.

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

The InChIKey is VTABZGBHAMVBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-3-6-20-18(22-14)26-7-4-15-5-8-27-19(9-15)12-24(13-19)17(25)16-10-21-23(2)11-16/h3,6,10-11,15H,4-5,7-9,12-13H2,1-2H3.

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

(1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 133142531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).