furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium

C23H30N3O5+ — CID 123449008

About furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium

furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium (PubChem CID 123449008) has the molecular formula C23H30N3O5+ and a molecular weight of 428.51 g/mol. Its IUPAC name is furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium.

Molecular Properties

• Compound Name: furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium
• PubChem CID: 123449008
• Molecular Formula: C23H30N3O5+
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.22
• IUPAC Name: furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium
• SMILES: CC1(OC(=O)N2CCC3(CC2)CC3C[N+](C)(C)C(=O)c2cc3ccncc3o2)COC1
• InChI: InChI=1S/C23H30N3O5/c1-22(14-29-15-22)31-21(28)25-8-5-23(6-9-25)11-17(23)13-26(2,3)20(27)18-10-16-4-7-24-12-19(16)30-18/h4,7,10,12,17H,5-6,8-9,11,13-15H2,1-3H3/q+1
• InChIKey: IAJIFOPPQZHQQO-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 81.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium?

The IUPAC name of furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium (CID 123449008) is furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium.

What is the SMILES notation for furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium?

The canonical SMILES for furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium is CC1(OC(=O)N2CCC3(CC2)CC3C[N+](C)(C)C(=O)c2cc3ccncc3o2)COC1.

What is the InChIKey of furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium?

The InChIKey is IAJIFOPPQZHQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N3O5/c1-22(14-29-15-22)31-21(28)25-8-5-23(6-9-25)11-17(23)13-26(2,3)20(27)18-10-16-4-7-24-12-19(16)30-18/h4,7,10,12,17H,5-6,8-9,11,13-15H2,1-3H3/q+1.

What are the key properties of furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium?

furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium has a molecular weight of 428.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for furo[2,3-c]pyridine-2-carbonyl-dimethyl-[[6-(3-methyloxetan-3-yl)oxycarbonyl-6-azaspiro[2.5]octan-2-yl]methyl]azanium is sourced from PubChem (CID 123449008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).