2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine

C18H17F3N4O2S — CID 155902768

IUPAC2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C18H17F3N4O2S/c19-18(20,21)13-3-1-4-14(11-13)28(26,27)25-9-6-12(7-10-25)16-23-15-5-2-8-22-17(15)24-16/h1-5,8,11-12H,6-7,9-10H2,(H,22,23,24)
InChIKeyWDHLVNOOEZAJBF-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.55
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine

2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 155902768) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID155902768
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C18H17F3N4O2S/c19-18(20,21)13-3-1-4-14(11-13)28(26,27)25-9-6-12(7-10-25)16-23-15-5-2-8-22-17(15)24-16/h1-5,8,11-12H,6-7,9-10H2,(H,22,23,24)
InChIKeyWDHLVNOOEZAJBF-UHFFFAOYSA-N
XLogP3.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902800
3-[(2-chlorophenyl)methyl]-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135417842
3-[(4-tert-butylphenyl)methyl]-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135417784
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 71787036
2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 45167058
5-(trifluoromethyl)-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzotriazole
CID 1469581
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 51134858
(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 112790807
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine (CID 155902768) is 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ncccc3[nH]2)CC1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is WDHLVNOOEZAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c19-18(20,21)13-3-1-4-14(11-13)28(26,27)25-9-6-12(7-10-25)16-23-15-5-2-8-22-17(15)24-16/h1-5,8,11-12H,6-7,9-10H2,(H,22,23,24).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 410.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155902768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).