8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

C23H20F3N5O3 — CID 167642877

IUPAC8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCC(F)(F)c1ccc(CN2C(=O)CN(c3ccc(C#N)cc3F)C(=O)C23CN(C(N)=O)C3)cc1
InChIInChI=1S/C23H20F3N5O3/c1-22(25,26)16-5-2-14(3-6-16)10-31-19(32)11-30(18-7-4-15(9-27)8-17(18)24)20(33)23(31)12-29(13-23)21(28)34/h2-8H,10-13H2,1H3,(H2,28,34)
InChIKeyPKOPMGWEIRPPSF-UHFFFAOYSA-N
MW471.44 g/mol
LogP2.32
Rot. Bonds4

About 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (PubChem CID 167642877) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
PubChem CID167642877
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCC(F)(F)c1ccc(CN2C(=O)CN(c3ccc(C#N)cc3F)C(=O)C23CN(C(N)=O)C3)cc1
InChIInChI=1S/C23H20F3N5O3/c1-22(25,26)16-5-2-14(3-6-16)10-31-19(32)11-30(18-7-4-15(9-27)8-17(18)24)20(33)23(31)12-29(13-23)21(28)34/h2-8H,10-13H2,1H3,(H2,28,34)
InChIKeyPKOPMGWEIRPPSF-UHFFFAOYSA-N
XLogP2.32
TPSA110.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide 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

4-[2-(azetidine-1-carbonyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonan-8-yl]-3-fluorobenzonitrile
CID 167634788
8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide
CID 167594064
4-[(5R)-7,10-dioxo-2-propanoyl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decan-9-yl]-3-fluorobenzonitrile
CID 146465710
methyl (5S)-6-[(4-chlorophenyl)methyl]-9-(4-cyano-2-fluorophenyl)-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146435048
4-[5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2-propanoyl-2,5,8-triazaspiro[3.5]nonan-8-yl]benzonitrile
CID 167557197
4-[6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonan-8-yl]-3-fluorobenzonitrile;2,2,2-trifluoroacetic acid
CID 146425389
methyl 2-[8-(4-cyano-2-fluorophenyl)-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonan-2-yl]benzoate
CID 146492918
bis(carbon dioxide);4-[6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-fluorobenzonitrile;3-fluoro-4-[2-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]benzonitrile
CID 161411918
3-fluoro-4-[(5S)-2-formyl-7,10-dioxo-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decan-9-yl]benzonitrile
CID 146465175
4-[2-acetyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonan-8-yl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 153473347
8-(4-cyano-2-fluorophenyl)-N-(3-methylcyclobutyl)-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-2-carboxamide
CID 167595111
3-fluoro-4-[2-(1,3,4-oxadiazol-2-yl)-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]benzonitrile
CID 146465176

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (CID 167642877) is 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is CC(F)(F)c1ccc(CN2C(=O)CN(c3ccc(C#N)cc3F)C(=O)C23CN(C(N)=O)C3)cc1.
What is the InChIKey of 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is PKOPMGWEIRPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-22(25,26)16-5-2-14(3-6-16)10-31-19(32)11-30(18-7-4-15(9-27)8-17(18)24)20(33)23(31)12-29(13-23)21(28)34/h2-8H,10-13H2,1H3,(H2,28,34).
What are the key properties of 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167642877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).