1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione

C22H24FN5O3 — CID 71252581

IUPAC1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)NC(=O)C4C)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H24FN5O3/c1-13-10-14(2)19(24-12-13)26-6-8-27(9-7-26)21(30)17-5-4-16(11-18(17)23)28-15(3)20(29)25-22(28)31/h4-5,10-12,15H,6-9H2,1-3H3,(H,25,29,31)
InChIKeyZEQAWOAQRVHKEA-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 71252581) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
PubChem CID71252581
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)NC(=O)C4C)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H24FN5O3/c1-13-10-14(2)19(24-12-13)26-6-8-27(9-7-26)21(30)17-5-4-16(11-18(17)23)28-15(3)20(29)25-22(28)31/h4-5,10-12,15H,6-9H2,1-3H3,(H,25,29,31)
InChIKeyZEQAWOAQRVHKEA-UHFFFAOYSA-N
XLogP2.24
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
CID 71252506
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one
CID 71252397
3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381213
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methylimidazol-2-one
CID 123628585
(4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484736
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381318
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
CID 138464573
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-[(4-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 71252197
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71251942

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione (CID 71252581) is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)NC(=O)C4C)cc3F)CC2)c(C)c1.
What is the InChIKey of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZEQAWOAQRVHKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13-10-14(2)19(24-12-13)26-6-8-27(9-7-26)21(30)17-5-4-16(11-18(17)23)28-15(3)20(29)25-22(28)31/h4-5,10-12,15H,6-9H2,1-3H3,(H,25,29,31).
What are the key properties of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione?
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 71252581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).