2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one

C19H21F3N4O3S — CID 155522929

IUPAC2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O3S/c1-18(2,30(28,29)16-7-6-14(13-24-16)19(20,21)22)17(27)26-11-9-25(10-12-26)15-5-3-4-8-23-15/h3-8,13H,9-12H2,1-2H3
InChIKeyOQQOYTXODCKOPN-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one

2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one (PubChem CID 155522929) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
PubChem CID155522929
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O3S/c1-18(2,30(28,29)16-7-6-14(13-24-16)19(20,21)22)17(27)26-11-9-25(10-12-26)15-5-3-4-8-23-15/h3-8,13H,9-12H2,1-2H3
InChIKeyOQQOYTXODCKOPN-UHFFFAOYSA-N
XLogP2.40
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one with MolForge

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
CID 155567607
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
CID 155539883
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
2,2,3,3,4,4,4-heptafluoro-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 4530139
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 33148672
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2768197
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one (CID 155522929) is 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one is CC(C)(C(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one?
The InChIKey is OQQOYTXODCKOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-18(2,30(28,29)16-7-6-14(13-24-16)19(20,21)22)17(27)26-11-9-25(10-12-26)15-5-3-4-8-23-15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one?
2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one has a molecular weight of 442.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one is sourced from PubChem (CID 155522929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).