(1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C19H24N4O3 — CID 97419168

About (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97419168) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 97419168
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
• SMILES: Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)n1
• InChI: InChI=1S/C19H24N4O3/c1-22-9-5-17(21-22)18(24)23-10-6-19(7-11-23)12-16(14-26-19)25-13-15-4-2-3-8-20-15/h2-5,8-9,16H,6-7,10-14H2,1H3/t16-/m1/s1
• InChIKey: OFTRFINUHBDZAL-MRXNPFEDSA-N
• XLogP: 1.80
• TPSA: 69.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97419168) is (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)n1.

What is the InChIKey of (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The InChIKey is OFTRFINUHBDZAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-9-5-17(21-22)18(24)23-10-6-19(7-11-23)12-16(14-26-19)25-13-15-4-2-3-8-20-15/h2-5,8-9,16H,6-7,10-14H2,1H3/t16-/m1/s1.

What are the key properties of (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

(1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97419168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).