[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone

C18H19FIN3O — CID 71252432

IUPAC[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccc(I)cc3F)CC2)c(C)c1
InChIInChI=1S/C18H19FIN3O/c1-12-9-13(2)17(21-11-12)22-5-7-23(8-6-22)18(24)15-4-3-14(20)10-16(15)19/h3-4,9-11H,5-8H2,1-2H3
InChIKeyQUIIDPKRHPIZKJ-UHFFFAOYSA-N
MW439.27 g/mol
LogP3.40
Rot. Bonds2

About [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone (PubChem CID 71252432) has the molecular formula C18H19FIN3O and a molecular weight of 439.27 g/mol. Its IUPAC name is [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
PubChem CID71252432
Molecular FormulaC18H19FIN3O
Molecular Weight439.27 g/mol
Exact Mass439.06
IUPAC Name[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccc(I)cc3F)CC2)c(C)c1
InChIInChI=1S/C18H19FIN3O/c1-12-9-13(2)17(21-11-12)22-5-7-23(8-6-22)18(24)15-4-3-14(20)10-16(15)19/h3-4,9-11H,5-8H2,1-2H3
InChIKeyQUIIDPKRHPIZKJ-UHFFFAOYSA-N
XLogP3.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
(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-methylphenyl)methanone
CID 141265306
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
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71251942
(4-bromo-2-nitrophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484547
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one
CID 71252397
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
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone?
The IUPAC name of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone (CID 71252432) is [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone?
The canonical SMILES for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone is Cc1cnc(N2CCN(C(=O)c3ccc(I)cc3F)CC2)c(C)c1.
What is the InChIKey of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone?
The InChIKey is QUIIDPKRHPIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FIN3O/c1-12-9-13(2)17(21-11-12)22-5-7-23(8-6-22)18(24)15-4-3-14(20)10-16(15)19/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone?
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone has a molecular weight of 439.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone is sourced from PubChem (CID 71252432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).