(1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C17H22N4O3S — CID 124813593

About (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124813593) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 124813593
• Molecular Formula: C17H22N4O3S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.14
• IUPAC Name: (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1
• InChI: InChI=1S/C17H22N4O3S/c1-12-18-13(9-25-12)8-23-14-4-6-24-17(7-14)10-21(11-17)16(22)15-3-5-20(2)19-15/h3,5,9,14H,4,6-8,10-11H2,1-2H3/t14-/m0/s1
• InChIKey: ANPHKAJYKGGBEH-AWEZNQCLSA-N
• XLogP: 1.78
• TPSA: 69.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	1.78
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-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124813593) is (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

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

The canonical SMILES for (1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1.

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

The InChIKey is ANPHKAJYKGGBEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-18-13(9-25-12)8-23-14-4-6-24-17(7-14)10-21(11-17)16(22)15-3-5-20(2)19-15/h3,5,9,14H,4,6-8,10-11H2,1-2H3/t14-/m0/s1.

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

(1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 362.46 g/mol, XLogP of 1.78, 4 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-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124813593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).