(E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine

C29H30F2N6O — CID 87242060

About (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine

(E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine (PubChem CID 87242060) has the molecular formula C29H30F2N6O and a molecular weight of 516.60 g/mol. Its IUPAC name is (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine.

Molecular Properties

• Compound Name: (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine
• PubChem CID: 87242060
• Molecular Formula: C29H30F2N6O
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine
• SMILES: CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccn4c(CC)cnc4c2)C3)cn1
• InChI: InChI=1S/C29H30F2N6O/c1-3-22-14-33-27-12-23(9-10-37(22)27)36-18-29(19-36)16-35(17-29)15-20-5-8-26(32-13-20)28(34-38-4-2)21-6-7-24(30)25(31)11-21/h5-14H,3-4,15-19H2,1-2H3/b34-28+
• InChIKey: ZGXOGVOXSRLURE-CDSHQWRTSA-N
• XLogP: 4.68
• TPSA: 58.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	4.68
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 (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine?

The IUPAC name of (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine (CID 87242060) is (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine.

What is the SMILES notation for (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine?

The canonical SMILES for (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine is CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccn4c(CC)cnc4c2)C3)cn1.

What is the InChIKey of (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine?

The InChIKey is ZGXOGVOXSRLURE-CDSHQWRTSA-N. The full InChI is InChI=1S/C29H30F2N6O/c1-3-22-14-33-27-12-23(9-10-37(22)27)36-18-29(19-36)16-35(17-29)15-20-5-8-26(32-13-20)28(34-38-4-2)21-6-7-24(30)25(31)11-21/h5-14H,3-4,15-19H2,1-2H3/b34-28+.

What are the key properties of (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine?

(E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine has a molecular weight of 516.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[2-(3-ethylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 87242060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).