2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol

C25H24BrF3N6O2 — CID 25151591

IUPAC2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H24BrF3N6O2/c26-19-14-31-24-21(32-23(33-24)17-2-4-18(5-3-17)37-12-11-36)22(19)35-9-7-34(8-10-35)15-16-1-6-20(30-13-16)25(27,28)29/h1-6,13-14,36H,7-12,15H2,(H,31,32,33)
InChIKeyODCIQXODFPEZBL-UHFFFAOYSA-N
MW577.41 g/mol
LogP4.49
Rot. Bonds7

About 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol

2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol (PubChem CID 25151591) has the molecular formula C25H24BrF3N6O2 and a molecular weight of 577.41 g/mol. Its IUPAC name is 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
PubChem CID25151591
Molecular FormulaC25H24BrF3N6O2
Molecular Weight577.41 g/mol
Exact Mass576.11
IUPAC Name2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H24BrF3N6O2/c26-19-14-31-24-21(32-23(33-24)17-2-4-18(5-3-17)37-12-11-36)22(19)35-9-7-34(8-10-35)15-16-1-6-20(30-13-16)25(27,28)29/h1-6,13-14,36H,7-12,15H2,(H,31,32,33)
InChIKeyODCIQXODFPEZBL-UHFFFAOYSA-N
XLogP4.49
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol with MolForge

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Related Compounds

tert-butyl 4-[4-[6-chloro-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazine-1-carboxylate
CID 69175635
4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]piperazine-1-carboxylic acid
CID 69175652
6-bromo-7-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-[4-(piperazin-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 25152568
6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 25151030
6-bromo-7-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 70685227
6-methyl-2-[4-(piperazin-1-ylmethyl)phenyl]-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 163993247
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87736156
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
6-bromo-2-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87735688
6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 143492117
2-[4-[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 46868083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol (CID 25151591) is 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol is OCCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
The InChIKey is ODCIQXODFPEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrF3N6O2/c26-19-14-31-24-21(32-23(33-24)17-2-4-18(5-3-17)37-12-11-36)22(19)35-9-7-34(8-10-35)15-16-1-6-20(30-13-16)25(27,28)29/h1-6,13-14,36H,7-12,15H2,(H,31,32,33).
What are the key properties of 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol has a molecular weight of 577.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol is sourced from PubChem (CID 25151591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).