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

C22H24FN5O3 — CID 134494483

IUPAC5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cnc(N2CCN(C(=O)c3ccc(C4(C)NC(=O)NC4=O)c(F)c3)CC2)c(C)c1
InChIInChI=1S/C22H24FN5O3/c1-13-10-14(2)18(24-12-13)27-6-8-28(9-7-27)19(29)15-4-5-16(17(23)11-15)22(3)20(30)25-21(31)26-22/h4-5,10-12H,6-9H2,1-3H3,(H2,25,26,30,31)
InChIKeyDOOBBVLTDNAJGU-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.85
Rot. Bonds3

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

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134494483) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
PubChem CID134494483
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cnc(N2CCN(C(=O)c3ccc(C4(C)NC(=O)NC4=O)c(F)c3)CC2)c(C)c1
InChIInChI=1S/C22H24FN5O3/c1-13-10-14(2)18(24-12-13)27-6-8-28(9-7-27)19(29)15-4-5-16(17(23)11-15)22(3)20(30)25-21(31)26-22/h4-5,10-12H,6-9H2,1-3H3,(H2,25,26,30,31)
InChIKeyDOOBBVLTDNAJGU-UHFFFAOYSA-N
XLogP1.85
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494339
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494331
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 134494960
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133359775
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134494465
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione (CID 134494483) is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione is Cc1cnc(N2CCN(C(=O)c3ccc(C4(C)NC(=O)NC4=O)c(F)c3)CC2)c(C)c1.
What is the InChIKey of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DOOBBVLTDNAJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13-10-14(2)18(24-12-13)27-6-8-28(9-7-27)19(29)15-4-5-16(17(23)11-15)22(3)20(30)25-21(31)26-22/h4-5,10-12H,6-9H2,1-3H3,(H2,25,26,30,31).
What are the key properties of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione?
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134494483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).