1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

C25H29F3N4O2 — CID 56595715

IUPAC1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)(F)C4)n3)cc2)C1=O
InChIInChI=1S/C25H29F3N4O2/c1-17(2)12-32-23(33)15-31(24(32)34)13-18-4-6-19(7-5-18)21-9-8-20(26)22(29-21)14-30-11-3-10-25(27,28)16-30/h4-9,17H,3,10-16H2,1-2H3
InChIKeyYYXSOZMCBJMHOM-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.54
Rot. Bonds7

About 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 56595715) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID56595715
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)(F)C4)n3)cc2)C1=O
InChIInChI=1S/C25H29F3N4O2/c1-17(2)12-32-23(33)15-31(24(32)34)13-18-4-6-19(7-5-18)21-9-8-20(26)22(29-21)14-30-11-3-10-25(27,28)16-30/h4-9,17H,3,10-16H2,1-2H3
InChIKeyYYXSOZMCBJMHOM-UHFFFAOYSA-N
XLogP4.54
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-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 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (CID 56595715) is 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)(F)C4)n3)cc2)C1=O.
What is the InChIKey of 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is YYXSOZMCBJMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c1-17(2)12-32-23(33)15-31(24(32)34)13-18-4-6-19(7-5-18)21-9-8-20(26)22(29-21)14-30-11-3-10-25(27,28)16-30/h4-9,17H,3,10-16H2,1-2H3.
What are the key properties of 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 474.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-[(3,3-difluoropiperidin-1-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56595715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).