(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

C17H22N4OS — CID 124810447

About (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (PubChem CID 124810447) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
• PubChem CID: 124810447
• Molecular Formula: C17H22N4OS
• Molecular Weight: 330.46 g/mol
• Exact Mass: 330.15
• IUPAC Name: (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
• SMILES: Cc1cc(CN2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n(C)n1
• InChI: InChI=1S/C17H22N4OS/c1-13-6-14(20(2)19-13)9-21-11-17(12-21)7-16(10-23-17)22-15-4-3-5-18-8-15/h3-6,8,16H,7,9-12H2,1-2H3/t16-/m1/s1
• InChIKey: NYYQMINFRRJBEH-MRXNPFEDSA-N
• XLogP: 2.26
• TPSA: 43.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.46
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

The IUPAC name of (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (CID 124810447) is (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

What is the SMILES notation for (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

The canonical SMILES for (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is Cc1cc(CN2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n(C)n1.

What is the InChIKey of (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

The InChIKey is NYYQMINFRRJBEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-6-14(20(2)19-13)9-21-11-17(12-21)7-16(10-23-17)22-15-4-3-5-18-8-15/h3-6,8,16H,7,9-12H2,1-2H3/t16-/m1/s1.

What are the key properties of (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane has a molecular weight of 330.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124810447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).