1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine

C29H30F2N6O — CID 75068368

About 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine

1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine (PubChem CID 75068368) has the molecular formula C29H30F2N6O and a molecular weight of 516.60 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine.

Molecular Properties

• Compound Name: 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine
• PubChem CID: 75068368
• Molecular Formula: C29H30F2N6O
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine
• SMILES: CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccc4nc(C)c(C)n4c2)C3)cn1
• InChI: InChI=1S/C29H30F2N6O/c1-4-38-34-28(22-6-8-24(30)25(31)11-22)26-9-5-21(12-32-26)13-35-15-29(16-35)17-36(18-29)23-7-10-27-33-19(2)20(3)37(27)14-23/h5-12,14H,4,13,15-18H2,1-3H3
• InChIKey: SRHWFTNCQHKEPB-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 58.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine?

The IUPAC name of 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine (CID 75068368) is 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine.

What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine?

The canonical SMILES for 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine is CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccc4nc(C)c(C)n4c2)C3)cn1.

What is the InChIKey of 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine?

The InChIKey is SRHWFTNCQHKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O/c1-4-38-34-28(22-6-8-24(30)25(31)11-22)26-9-5-21(12-32-26)13-35-15-29(16-35)17-36(18-29)23-7-10-27-33-19(2)20(3)37(27)14-23/h5-12,14H,4,13,15-18H2,1-3H3.

What are the key properties of 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine?

1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine has a molecular weight of 516.60 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-difluorophenyl)-1-[5-[[2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]-N-ethoxymethanimine is sourced from PubChem (CID 75068368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).