(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol

C14H19BrN4O — CID 135304241

IUPAC(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2nc(Br)ccc21
InChIInChI=1S/C14H19BrN4O/c15-13-6-5-11-14(18-13)17-9-19(11)8-2-3-10-12(20)4-1-7-16-10/h5-6,9-10,12,16,20H,1-4,7-8H2/t10-,12+/m1/s1
InChIKeyAUFAWURQGHHINN-PWSUYJOCSA-N
MW339.24 g/mol
LogP2.09
Rot. Bonds4

About (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol

(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol (PubChem CID 135304241) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
PubChem CID135304241
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2nc(Br)ccc21
InChIInChI=1S/C14H19BrN4O/c15-13-6-5-11-14(18-13)17-9-19(11)8-2-3-10-12(20)4-1-7-16-10/h5-6,9-10,12,16,20H,1-4,7-8H2/t10-,12+/m1/s1
InChIKeyAUFAWURQGHHINN-PWSUYJOCSA-N
XLogP2.09
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304084
(2R,3S)-2-[3-(5-bromo-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304029
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
(2R,3S)-2-[3-(5-bromo-6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746395
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746476
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-(7-chloro-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304233
(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol
CID 135304077
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol (CID 135304241) is (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2nc(Br)ccc21.
What is the InChIKey of (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol?
The InChIKey is AUFAWURQGHHINN-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-13-6-5-11-14(18-13)17-9-19(11)8-2-3-10-12(20)4-1-7-16-10/h5-6,9-10,12,16,20H,1-4,7-8H2/t10-,12+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol?
(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol has a molecular weight of 339.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).