4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one

C24H25F3N4O — CID 137298897

IUPAC4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one
SMILESO=C1N/C(=N\C2CCCC2)C2(CCN(Cc3ccc(F)cc3)C2)N1c1cc(F)cc(F)c1
InChIInChI=1S/C24H25F3N4O/c25-17-7-5-16(6-8-17)14-30-10-9-24(15-30)22(28-20-3-1-2-4-20)29-23(32)31(24)21-12-18(26)11-19(27)13-21/h5-8,11-13,20H,1-4,9-10,14-15H2,(H,28,29,32)
InChIKeyWINSGLCGSKKGEO-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.62
Rot. Bonds4

About 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one

4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 137298897) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one
PubChem CID137298897
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one
SMILESO=C1N/C(=N\C2CCCC2)C2(CCN(Cc3ccc(F)cc3)C2)N1c1cc(F)cc(F)c1
InChIInChI=1S/C24H25F3N4O/c25-17-7-5-16(6-8-17)14-30-10-9-24(15-30)22(28-20-3-1-2-4-20)29-23(32)31(24)21-12-18(26)11-19(27)13-21/h5-8,11-13,20H,1-4,9-10,14-15H2,(H,28,29,32)
InChIKeyWINSGLCGSKKGEO-UHFFFAOYSA-N
XLogP4.62
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-{[4-(Cyclohexylamino)-1-(3-Fluorophenyl)-2-Oxo-1,3,8-Triazaspiro[4.5]dec-3-En-8-Yl]methyl}phenyl)acetamide
CID 135875806
4-(Cyclohexylamino)-1-(3-fluorophenyl)-8-[(3-phenylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875807
8-Benzyl-4-(cyclohexylamino)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135492826
8-Benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875803
4-(Cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875805
4-(Cyclohexylamino)-1-(3-fluorophenyl)-8-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875884
(5r,7s)-8-Benzyl-4-(Cyclohexylamino)-1-(3-Fluorophenyl)-7-Methyl-1,3,8-Triazaspiro[4.5]dec-3-En-2-One
CID 136652638
4-Cyclopentylimino-7-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 137298753
4-Cyclopentylimino-1-(3,5-difluorophenyl)-7-[[4-(dimethylamino)phenyl]methyl]-1,3,7-triazaspiro[4.4]nonan-2-one
CID 137298881
Methyl 4-cyclopentylimino-1-(3,5-difluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 137299517
4-Cyclohexylimino-9-(cyclohexylmethyl)-1-(3,5-difluorophenyl)-1,3,9-triazaspiro[4.5]decan-2-one
CID 137298723
4-Cyclopentylimino-1-(3,5-difluorophenyl)-7-(3-methylbutyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 137298729

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one?
The IUPAC name of 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one (CID 137298897) is 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one is O=C1N/C(=N\C2CCCC2)C2(CCN(Cc3ccc(F)cc3)C2)N1c1cc(F)cc(F)c1.
What is the InChIKey of 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one?
The InChIKey is WINSGLCGSKKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-17-7-5-16(6-8-17)14-30-10-9-24(15-30)22(28-20-3-1-2-4-20)29-23(32)31(24)21-12-18(26)11-19(27)13-21/h5-8,11-13,20H,1-4,9-10,14-15H2,(H,28,29,32).
What are the key properties of 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one?
4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 442.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylimino-1-(3,5-difluorophenyl)-7-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 137298897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).