2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C21H17ClF4N4O3 — CID 146425456

IUPAC2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(=O)N1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17ClF4N4O3/c1-12(31)28-10-20(11-28)19(33)29(18-16(23)6-15(22)7-27-18)9-17(32)30(20)8-13-2-4-14(5-3-13)21(24,25)26/h2-7H,8-11H2,1H3
InChIKeyKUIVSCLQKWFMGY-UHFFFAOYSA-N
MW484.84 g/mol
LogP2.87
Rot. Bonds3

About 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 146425456) has the molecular formula C21H17ClF4N4O3 and a molecular weight of 484.84 g/mol. Its IUPAC name is 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID146425456
Molecular FormulaC21H17ClF4N4O3
Molecular Weight484.84 g/mol
Exact Mass484.09
IUPAC Name2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(=O)N1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17ClF4N4O3/c1-12(31)28-10-20(11-28)19(33)29(18-16(23)6-15(22)7-27-18)9-17(32)30(20)8-13-2-4-14(5-3-13)21(24,25)26/h2-7H,8-11H2,1H3
InChIKeyKUIVSCLQKWFMGY-UHFFFAOYSA-N
XLogP2.87
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.84
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione 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 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 146425456) is 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is CC(=O)N1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is KUIVSCLQKWFMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF4N4O3/c1-12(31)28-10-20(11-28)19(33)29(18-16(23)6-15(22)7-27-18)9-17(32)30(20)8-13-2-4-14(5-3-13)21(24,25)26/h2-7H,8-11H2,1H3.
What are the key properties of 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 484.84 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146425456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).