[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone

C22H24F4N4O4S — CID 11443733

IUPAC[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)c1
InChIInChI=1S/C22H24F4N4O4S/c1-35(32,33)16-2-3-19(28-8-10-34-11-9-28)17(13-16)21(31)30-6-4-29(5-7-30)20-18(23)12-15(14-27-20)22(24,25)26/h2-3,12-14H,4-11H2,1H3
InChIKeyYDCMGXNXDXRORN-UHFFFAOYSA-N
MW516.52 g/mol
LogP2.44
Rot. Bonds4

About [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone

[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone (PubChem CID 11443733) has the molecular formula C22H24F4N4O4S and a molecular weight of 516.52 g/mol. Its IUPAC name is [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone
PubChem CID11443733
Molecular FormulaC22H24F4N4O4S
Molecular Weight516.52 g/mol
Exact Mass516.15
IUPAC Name[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)c1
InChIInChI=1S/C22H24F4N4O4S/c1-35(32,33)16-2-3-19(28-8-10-34-11-9-28)17(13-16)21(31)30-6-4-29(5-7-30)20-18(23)12-15(14-27-20)22(24,25)26/h2-3,12-14H,4-11H2,1H3
InChIKeyYDCMGXNXDXRORN-UHFFFAOYSA-N
XLogP2.44
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone with MolForge

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Related Compounds

3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-(4-methylsulfonylphenyl)quinazolin-4-one
CID 137645171
N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 90442628
6-(morpholin-4-ylsulfonyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinolin-4(1H)-one
CID 3237301
N,N-diethyl-1-methyl-4-oxo-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]-1,4-dihydroquinoline-6-sulfonamide
CID 16000012
(2-Methyl-5-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 4967592
(5-(methylsulfonyl)-2-morpholinophenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
CID 53325155
N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide
CID 86297888
(R)-(2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl)(morpholino)methanone
CID 137554507
N,N,1-trimethyl-4-oxo-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinoline-6-sulfonamide
CID 5309285
(4-(Morpholinosulfonyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 1297543
1-methyl-6-(morpholin-4-ylsulfonyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinolin-4(1H)-one
CID 3236304
4-fluoro-3-morpholin-4-ylsulfonyl-N-phenyl-N-pyridin-2-ylbenzamide
CID 4450596

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone (CID 11443733) is [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone is CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)c1.
What is the InChIKey of [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone?
The InChIKey is YDCMGXNXDXRORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O4S/c1-35(32,33)16-2-3-19(28-8-10-34-11-9-28)17(13-16)21(31)30-6-4-29(5-7-30)20-18(23)12-15(14-27-20)22(24,25)26/h2-3,12-14H,4-11H2,1H3.
What are the key properties of [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone?
[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone has a molecular weight of 516.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 11443733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).