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

C30H32Cl2N6O — CID 44596145

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

(E)-1-(3,4-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine (PubChem CID 44596145) has the molecular formula C30H32Cl2N6O and a molecular weight of 563.53 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[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-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine
• PubChem CID: 44596145
• Molecular Formula: C30H32Cl2N6O
• Molecular Weight: 563.53 g/mol
• Exact Mass: 562.20
• IUPAC Name: (E)-1-(3,4-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine
• SMILES: CCCc1cnc2cc(N3CC4(CN(Cc5ccc(/C(=N/OCC)c6ccc(Cl)c(Cl)c6)nc5)C4)C3)ccn12
• InChI: InChI=1S/C30H32Cl2N6O/c1-3-5-24-15-34-28-13-23(10-11-38(24)28)37-19-30(20-37)17-36(18-30)16-21-6-9-27(33-14-21)29(35-39-4-2)22-7-8-25(31)26(32)12-22/h6-15H,3-5,16-20H2,1-2H3/b35-29+
• InChIKey: YZEIWWNEZNNFLJ-OZMGXUMRSA-N
• XLogP: 6.10
• TPSA: 58.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.53
LogP ≤ 5	6.10
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-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[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-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine (CID 44596145) is (E)-1-(3,4-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[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-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[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-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine is CCCc1cnc2cc(N3CC4(CN(Cc5ccc(/C(=N/OCC)c6ccc(Cl)c(Cl)c6)nc5)C4)C3)ccn12.

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

The InChIKey is YZEIWWNEZNNFLJ-OZMGXUMRSA-N. The full InChI is InChI=1S/C30H32Cl2N6O/c1-3-5-24-15-34-28-13-23(10-11-38(24)28)37-19-30(20-37)17-36(18-30)16-21-6-9-27(33-14-21)29(35-39-4-2)22-7-8-25(31)26(32)12-22/h6-15H,3-5,16-20H2,1-2H3/b35-29+.

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

(E)-1-(3,4-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine has a molecular weight of 563.53 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(3,4-dichlorophenyl)-N-ethoxy-1-[5-[[2-(3-propylimidazo[1,2-a]pyridin-7-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 44596145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).