7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane

C17H24N4O2S — CID 134071062

About 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane

7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134071062) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

• Compound Name: 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
• PubChem CID: 134071062
• Molecular Formula: C17H24N4O2S
• Molecular Weight: 348.47 g/mol
• Exact Mass: 348.16
• IUPAC Name: 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
• SMILES: Cc1nc(COC2COC3(CCN(Cc4cnn(C)c4)C3)C2)cs1
• InChI: InChI=1S/C17H24N4O2S/c1-13-19-15(11-24-13)9-22-16-5-17(23-10-16)3-4-21(12-17)8-14-6-18-20(2)7-14/h6-7,11,16H,3-5,8-10,12H2,1-2H3
• InChIKey: RAIDJQGLTCHCLO-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 52.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.47
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-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane?

The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane (CID 134071062) is 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane.

What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane?

The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane is Cc1nc(COC2COC3(CCN(Cc4cnn(C)c4)C3)C2)cs1.

What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane?

The InChIKey is RAIDJQGLTCHCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-19-15(11-24-13)9-22-16-5-17(23-10-16)3-4-21(12-17)8-14-6-18-20(2)7-14/h6-7,11,16H,3-5,8-10,12H2,1-2H3.

What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane?

7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 348.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134071062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).