(4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone

C19H20F3N5O3S — CID 62705486

IUPAC(4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone
SMILESO=C(C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H20F3N5O3S/c20-19(21,22)17-2-1-16(11-24-17)31(29,30)27-12-14(13-27)18(28)26-9-7-25(8-10-26)15-3-5-23-6-4-15/h1-6,11,14H,7-10,12-13H2
InChIKeyXIWZHDSQBATKQU-UHFFFAOYSA-N
MW455.46 g/mol
LogP1.46
Rot. Bonds4

About (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone

(4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone (PubChem CID 62705486) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone
PubChem CID62705486
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC Name(4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone
SMILESO=C(C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H20F3N5O3S/c20-19(21,22)17-2-1-16(11-24-17)31(29,30)27-12-14(13-27)18(28)26-9-7-25(8-10-26)15-3-5-23-6-4-15/h1-6,11,14H,7-10,12-13H2
InChIKeyXIWZHDSQBATKQU-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone with MolForge

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Related Compounds

(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
[1-[(6-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705316
[1-[(6-Chloro-5-methyl-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705483
[4-(4-Iodophenyl)sulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 9871989
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 10693131
N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}-N-propionylpropanamide
CID 4191547
[1-(1-Methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705154
[1-[[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705155
[1-[(2-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705484
[1-(3-Fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62707585
[1-(3-Chloro-2-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62707586
[1-(3-Chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62707587

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone?
The IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone (CID 62705486) is (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone?
The canonical SMILES for (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone is O=C(C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone?
The InChIKey is XIWZHDSQBATKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c20-19(21,22)17-2-1-16(11-24-17)31(29,30)27-12-14(13-27)18(28)26-9-7-25(8-10-26)15-3-5-23-6-4-15/h1-6,11,14H,7-10,12-13H2.
What are the key properties of (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone?
(4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone has a molecular weight of 455.46 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperazin-1-yl)-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methanone is sourced from PubChem (CID 62705486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).