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

C19H19F3N4O2S — CID 91904194

IUPAC3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC(Cn2cnc3cccnc32)C1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)15-5-1-6-16(10-15)29(27,28)26-9-3-4-14(12-26)11-25-13-24-17-7-2-8-23-18(17)25/h1-2,5-8,10,13-14H,3-4,9,11-12H2
InChIKeyGHZAVTQTRBLHFA-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.55
Rot. Bonds4

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

3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 91904194) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID91904194
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC(Cn2cnc3cccnc32)C1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)15-5-1-6-16(10-15)29(27,28)26-9-3-4-14(12-26)11-25-13-24-17-7-2-8-23-18(17)25/h1-2,5-8,10,13-14H,3-4,9,11-12H2
InChIKeyGHZAVTQTRBLHFA-UHFFFAOYSA-N
XLogP3.55
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
pyrrolidin-1-yl-[1-[[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]triazol-4-yl]methanone
CID 25290515
3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
4-[(2-propan-2-ylimidazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494377
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
2-methyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261104
2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 53111636
2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 45167058
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
1-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]urea
CID 162586728

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine (CID 91904194) is 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC(Cn2cnc3cccnc32)C1.
What is the InChIKey of 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is GHZAVTQTRBLHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c20-19(21,22)15-5-1-6-16(10-15)29(27,28)26-9-3-4-14(12-26)11-25-13-24-17-7-2-8-23-18(17)25/h1-2,5-8,10,13-14H,3-4,9,11-12H2.
What are the key properties of 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 424.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 91904194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).