[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone

C19H27N3O4 — CID 146093600

About [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone

[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone (PubChem CID 146093600) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone.

Molecular Properties

• Compound Name: [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
• PubChem CID: 146093600
• Molecular Formula: C19H27N3O4
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.20
• IUPAC Name: [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
• SMILES: COCCn1nc2c(c1C(=O)N1CC3(CC=CCO3)C1)C[C@H](C)O[C@@H]2C
• InChI: InChI=1S/C19H27N3O4/c1-13-10-15-16(14(2)26-13)20-22(7-9-24-3)17(15)18(23)21-11-19(12-21)6-4-5-8-25-19/h4-5,13-14H,6-12H2,1-3H3/t13-,14+/m0/s1
• InChIKey: WUSKKZVMKNGNNC-UONOGXRCSA-N
• XLogP: 1.72
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone?

The IUPAC name of [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone (CID 146093600) is [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone.

What is the SMILES notation for [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone?

The canonical SMILES for [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone is COCCn1nc2c(c1C(=O)N1CC3(CC=CCO3)C1)C[C@H](C)O[C@@H]2C.

What is the InChIKey of [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone?

The InChIKey is WUSKKZVMKNGNNC-UONOGXRCSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-10-15-16(14(2)26-13)20-22(7-9-24-3)17(15)18(23)21-11-19(12-21)6-4-5-8-25-19/h4-5,13-14H,6-12H2,1-3H3/t13-,14+/m0/s1.

What are the key properties of [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone?

[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone has a molecular weight of 361.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone is sourced from PubChem (CID 146093600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).