(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C20H26N4O3 — CID 124797928

About (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124797928) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124797928
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
• SMILES: COc1ncccc1CN1CC2(C[C@H](CCOc3ncccn3)CCO2)C1
• InChI: InChI=1S/C20H26N4O3/c1-25-18-17(4-2-7-21-18)13-24-14-20(15-24)12-16(6-11-27-20)5-10-26-19-22-8-3-9-23-19/h2-4,7-9,16H,5-6,10-15H2,1H3/t16-/m1/s1
• InChIKey: WVDCJMBOAXTXEY-MRXNPFEDSA-N
• XLogP: 2.33
• TPSA: 69.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124797928) is (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is COc1ncccc1CN1CC2(C[C@H](CCOc3ncccn3)CCO2)C1.

What is the InChIKey of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is WVDCJMBOAXTXEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-25-18-17(4-2-7-21-18)13-24-14-20(15-24)12-16(6-11-27-20)5-10-26-19-22-8-3-9-23-19/h2-4,7-9,16H,5-6,10-15H2,1H3/t16-/m1/s1.

What are the key properties of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 370.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124797928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).