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

C22H26FN5O2 — CID 71252506

IUPAC1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H26FN5O2/c1-15-12-16(2)20(24-14-15)26-7-9-27(10-8-26)21(29)18-5-4-17(13-19(18)23)28-11-6-25(3)22(28)30/h4-5,12-14H,6-11H2,1-3H3
InChIKeyXINITXOAHPFGBG-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.67
Rot. Bonds3

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

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one (PubChem CID 71252506) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
PubChem CID71252506
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H26FN5O2/c1-15-12-16(2)20(24-14-15)26-7-9-27(10-8-26)21(29)18-5-4-17(13-19(18)23)28-11-6-25(3)22(28)30/h4-5,12-14H,6-11H2,1-3H3
InChIKeyXINITXOAHPFGBG-UHFFFAOYSA-N
XLogP2.67
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one with MolForge

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Related Compounds

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 71252581
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methylimidazol-2-one
CID 123628585
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71251942
2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
CID 71252040
1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71252145
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(piperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252878
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 71252968
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one (CID 71252506) is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3F)CC2)c(C)c1.
What is the InChIKey of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one?
The InChIKey is XINITXOAHPFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-15-12-16(2)20(24-14-15)26-7-9-27(10-8-26)21(29)18-5-4-17(13-19(18)23)28-11-6-25(3)22(28)30/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one?
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one has a molecular weight of 411.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]-3-methylimidazolidin-2-one is sourced from PubChem (CID 71252506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).