1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine

C26H28F2N6O — CID 123802327

IUPAC1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine
SMILESCCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CCN(c4cnccn4)C3)C2)cn1
InChIInChI=1S/C26H28F2N6O/c1-2-35-32-25(20-4-5-21(27)22(28)13-20)23-6-3-19(14-31-23)16-33-11-7-26(17-33)8-12-34(18-26)24-15-29-9-10-30-24/h3-6,9-10,13-15H,2,7-8,11-12,16-18H2,1H3
InChIKeyZLVXFRKDBYNZQF-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.04
Rot. Bonds7

About 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine

1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine (PubChem CID 123802327) has the molecular formula C26H28F2N6O and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine
PubChem CID123802327
Molecular FormulaC26H28F2N6O
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine
SMILESCCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CCN(c4cnccn4)C3)C2)cn1
InChIInChI=1S/C26H28F2N6O/c1-2-35-32-25(20-4-5-21(27)22(28)13-20)23-6-3-19(14-31-23)16-33-11-7-26(17-33)8-12-34(18-26)24-15-29-9-10-30-24/h3-6,9-10,13-15H,2,7-8,11-12,16-18H2,1H3
InChIKeyZLVXFRKDBYNZQF-UHFFFAOYSA-N
XLogP4.04
TPSA66.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine (CID 123802327) is 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine is CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CCN(c4cnccn4)C3)C2)cn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine?
The InChIKey is ZLVXFRKDBYNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O/c1-2-35-32-25(20-4-5-21(27)22(28)13-20)23-6-3-19(14-31-23)16-33-11-7-26(17-33)8-12-34(18-26)24-15-29-9-10-30-24/h3-6,9-10,13-15H,2,7-8,11-12,16-18H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine?
1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine has a molecular weight of 478.55 g/mol, XLogP of 4.04, 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)-N-ethoxy-1-[5-[(2-pyrazin-2-yl-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 123802327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).