1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol

C19H21BrN4O2 — CID 69215022

IUPAC1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H21BrN4O2/c20-14-10-17-19(21-11-14)23-18(22-17)13-3-5-16(6-4-13)26-9-8-24-7-1-2-15(25)12-24/h3-6,10-11,15,25H,1-2,7-9,12H2,(H,21,22,23)
InChIKeyUVFOQCOVJMTDHO-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol

1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol (PubChem CID 69215022) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol
PubChem CID69215022
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H21BrN4O2/c20-14-10-17-19(21-11-14)23-18(22-17)13-3-5-16(6-4-13)26-9-8-24-7-1-2-15(25)12-24/h3-6,10-11,15,25H,1-2,7-9,12H2,(H,21,22,23)
InChIKeyUVFOQCOVJMTDHO-UHFFFAOYSA-N
XLogP3.22
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol with MolForge

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
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
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
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenoxy]ethyl]morpholine;6-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 158925150
6-bromo-7-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 70685227
2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 10004038
6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 54939914
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol
CID 69211296
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol (CID 69215022) is 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol is OC1CCCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1.
What is the InChIKey of 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol?
The InChIKey is UVFOQCOVJMTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c20-14-10-17-19(21-11-14)23-18(22-17)13-3-5-16(6-4-13)26-9-8-24-7-1-2-15(25)12-24/h3-6,10-11,15,25H,1-2,7-9,12H2,(H,21,22,23).
What are the key properties of 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol?
1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol has a molecular weight of 417.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol is sourced from PubChem (CID 69215022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).