(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C25H26F3N5O4S — CID 118274014

IUPAC(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H26F3N5O4S/c26-25(27,28)19-5-9-23(29-17-19)37-20-6-8-21-18(16-20)4-7-22(30-21)24(34)31-12-14-33(15-13-31)38(35,36)32-10-2-1-3-11-32/h4-9,16-17H,1-3,10-15H2
InChIKeyLUIDZMYIVNIUTM-UHFFFAOYSA-N
MW549.58 g/mol
LogP3.93
Rot. Bonds5

About (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118274014) has the molecular formula C25H26F3N5O4S and a molecular weight of 549.58 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118274014
Molecular FormulaC25H26F3N5O4S
Molecular Weight549.58 g/mol
Exact Mass549.17
IUPAC Name(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H26F3N5O4S/c26-25(27,28)19-5-9-23(29-17-19)37-20-6-8-21-18(16-20)4-7-22(30-21)24(34)31-12-14-33(15-13-31)38(35,36)32-10-2-1-3-11-32/h4-9,16-17H,1-3,10-15H2
InChIKeyLUIDZMYIVNIUTM-UHFFFAOYSA-N
XLogP3.93
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone with MolForge

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Related Compounds

[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]methanone
CID 122549607
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
[4-(1,1-dihydroxythiolan-3-yl)sulfonylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273472
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide
CID 118273564
[4-(oxolan-3-ylmethylsulfonyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273819
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273508
(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273807
N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 118273376
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118274014) is (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is LUIDZMYIVNIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4S/c26-25(27,28)19-5-9-23(29-17-19)37-20-6-8-21-18(16-20)4-7-22(30-21)24(34)31-12-14-33(15-13-31)38(35,36)32-10-2-1-3-11-32/h4-9,16-17H,1-3,10-15H2.
What are the key properties of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 549.58 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118274014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).