(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C17H18N4O2S — CID 124913264

About (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124913264) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124913264
• Molecular Formula: C17H18N4O2S
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.12
• IUPAC Name: (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: Cc1cnc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)cn1
• InChI: InChI=1S/C17H18N4O2S/c1-12-6-20-15(8-19-12)16(22)21-10-17(11-21)5-14(9-24-17)23-13-3-2-4-18-7-13/h2-4,6-8,14H,5,9-11H2,1H3/t14-/m0/s1
• InChIKey: PWQVFCLGCBAHOJ-AWEZNQCLSA-N
• XLogP: 1.96
• TPSA: 68.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124913264) is (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is Cc1cnc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)cn1.

What is the InChIKey of (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is PWQVFCLGCBAHOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-6-20-15(8-19-12)16(22)21-10-17(11-21)5-14(9-24-17)23-13-3-2-4-18-7-13/h2-4,6-8,14H,5,9-11H2,1H3/t14-/m0/s1.

What are the key properties of (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124913264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).