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

C26H27BrN4O3 — CID 69211296

IUPAC1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C26H27BrN4O3/c27-20-14-23-25(28-15-20)30-24(29-23)18-6-8-22(9-7-18)34-17-21(32)16-31-12-10-26(33,11-13-31)19-4-2-1-3-5-19/h1-9,14-15,21,32-33H,10-13,16-17H2,(H,28,29,30)
InChIKeyFRVGUTJAGGXEQH-UHFFFAOYSA-N
MW523.43 g/mol
LogP4.11
Rot. Bonds7

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

1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol (PubChem CID 69211296) has the molecular formula C26H27BrN4O3 and a molecular weight of 523.43 g/mol. Its IUPAC name is 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol
PubChem CID69211296
Molecular FormulaC26H27BrN4O3
Molecular Weight523.43 g/mol
Exact Mass522.13
IUPAC Name1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C26H27BrN4O3/c27-20-14-23-25(28-15-20)30-24(29-23)18-6-8-22(9-7-18)34-17-21(32)16-31-12-10-26(33,11-13-31)19-4-2-1-3-5-19/h1-9,14-15,21,32-33H,10-13,16-17H2,(H,28,29,30)
InChIKeyFRVGUTJAGGXEQH-UHFFFAOYSA-N
XLogP4.11
TPSA94.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.43
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87735926
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
1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242410
1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70240604
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 97316322
N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87735307
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
CID 22867041
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol (CID 69211296) is 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol is OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol?
The InChIKey is FRVGUTJAGGXEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O3/c27-20-14-23-25(28-15-20)30-24(29-23)18-6-8-22(9-7-18)34-17-21(32)16-31-12-10-26(33,11-13-31)19-4-2-1-3-5-19/h1-9,14-15,21,32-33H,10-13,16-17H2,(H,28,29,30).
What are the key properties of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol?
1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol has a molecular weight of 523.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 69211296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).