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

C25H30F2N4O2 — CID 56595712

IUPAC1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)C4)n3)cc2)C1=O
InChIInChI=1S/C25H30F2N4O2/c1-17(2)12-31-24(32)16-30(25(31)33)13-18-5-7-19(8-6-18)22-10-9-21(27)23(28-22)15-29-11-3-4-20(26)14-29/h5-10,17,20H,3-4,11-16H2,1-2H3
InChIKeyPZUPBBUPKNQAOC-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.24
Rot. Bonds7

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

1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 56595712) has the molecular formula C25H30F2N4O2 and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID56595712
Molecular FormulaC25H30F2N4O2
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)C4)n3)cc2)C1=O
InChIInChI=1S/C25H30F2N4O2/c1-17(2)12-31-24(32)16-30(25(31)33)13-18-5-7-19(8-6-18)22-10-9-21(27)23(28-22)15-29-11-3-4-20(26)14-29/h5-10,17,20H,3-4,11-16H2,1-2H3
InChIKeyPZUPBBUPKNQAOC-UHFFFAOYSA-N
XLogP4.24
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (CID 56595712) is 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)C4)n3)cc2)C1=O.
What is the InChIKey of 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is PZUPBBUPKNQAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O2/c1-17(2)12-31-24(32)16-30(25(31)33)13-18-5-7-19(8-6-18)22-10-9-21(27)23(28-22)15-29-11-3-4-20(26)14-29/h5-10,17,20H,3-4,11-16H2,1-2H3.
What are the key properties of 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 456.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-fluoro-6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56595712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).