(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C19H26N4O2 — CID 124818161

About (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124818161) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124818161
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cn1cc(CN2CC3(C[C@H](CCOc4ccccn4)CCO3)C2)cn1
• InChI: InChI=1S/C19H26N4O2/c1-22-12-17(11-21-22)13-23-14-19(15-23)10-16(6-9-25-19)5-8-24-18-4-2-3-7-20-18/h2-4,7,11-12,16H,5-6,8-10,13-15H2,1H3/t16-/m1/s1
• InChIKey: MYFXKCPSFNXKGH-MRXNPFEDSA-N
• XLogP: 2.27
• TPSA: 52.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124818161) is (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is Cn1cc(CN2CC3(C[C@H](CCOc4ccccn4)CCO3)C2)cn1.

What is the InChIKey of (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is MYFXKCPSFNXKGH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-12-17(11-21-22)13-23-14-19(15-23)10-16(6-9-25-19)5-8-24-18-4-2-3-7-20-18/h2-4,7,11-12,16H,5-6,8-10,13-15H2,1H3/t16-/m1/s1.

What are the key properties of (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 342.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124818161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).