1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

C20H17FN4O3 — CID 42895022

IUPAC1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2nc(CN3C(=O)C(C)N(c4ccc(F)cc4)C3=O)cc(=O)n2c1
InChIInChI=1S/C20H17FN4O3/c1-12-3-8-17-22-15(9-18(26)23(17)10-12)11-24-19(27)13(2)25(20(24)28)16-6-4-14(21)5-7-16/h3-10,13H,11H2,1-2H3
InChIKeyXGFYZMSQGZVAPO-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 42895022) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID42895022
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2nc(CN3C(=O)C(C)N(c4ccc(F)cc4)C3=O)cc(=O)n2c1
InChIInChI=1S/C20H17FN4O3/c1-12-3-8-17-22-15(9-18(26)23(17)10-12)11-24-19(27)13(2)25(20(24)28)16-6-4-14(21)5-7-16/h3-10,13H,11H2,1-2H3
InChIKeyXGFYZMSQGZVAPO-UHFFFAOYSA-N
XLogP2.50
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (CID 42895022) is 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2nc(CN3C(=O)C(C)N(c4ccc(F)cc4)C3=O)cc(=O)n2c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XGFYZMSQGZVAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12-3-8-17-22-15(9-18(26)23(17)10-12)11-24-19(27)13(2)25(20(24)28)16-6-4-14(21)5-7-16/h3-10,13H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42895022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).