(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

C20H28N4O2 — CID 124806846

About (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124806846) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124806846
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1cc(CN2CC3(C[C@@H](OCc4cnccc4C)CCO3)C2)n(C)n1
• InChI: InChI=1S/C20H28N4O2/c1-15-4-6-21-10-17(15)12-25-19-5-7-26-20(9-19)13-24(14-20)11-18-8-16(2)22-23(18)3/h4,6,8,10,19H,5,7,9,11-14H2,1-3H3/t19-/m0/s1
• InChIKey: BQSHWWNBKQMSAK-IBGZPJMESA-N
• XLogP: 2.38
• TPSA: 52.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (CID 124806846) is (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is Cc1cc(CN2CC3(C[C@@H](OCc4cnccc4C)CCO3)C2)n(C)n1.

What is the InChIKey of (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is BQSHWWNBKQMSAK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-4-6-21-10-17(15)12-25-19-5-7-26-20(9-19)13-24(14-20)11-18-8-16(2)22-23(18)3/h4,6,8,10,19H,5,7,9,11-14H2,1-3H3/t19-/m0/s1.

What are the key properties of (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 356.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124806846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).