8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C20H21BrN4O — CID 129275418

IUPAC8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1nc2ncc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C20H21BrN4O/c21-14-8-18-19(22-11-14)23-20(24(18)12-13-4-2-1-3-5-13)25-15-6-7-16(25)10-17(26)9-15/h1-5,8,11,15-17,26H,6-7,9-10,12H2
InChIKeyXKABSZVFPXYUOX-UHFFFAOYSA-N
MW413.32 g/mol
LogP3.73
Rot. Bonds3

About 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 129275418) has the molecular formula C20H21BrN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID129275418
Molecular FormulaC20H21BrN4O
Molecular Weight413.32 g/mol
Exact Mass412.09
IUPAC Name8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1nc2ncc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C20H21BrN4O/c21-14-8-18-19(22-11-14)23-20(24(18)12-13-4-2-1-3-5-13)25-15-6-7-16(25)10-17(26)9-15/h1-5,8,11,15-17,26H,6-7,9-10,12H2
InChIKeyXKABSZVFPXYUOX-UHFFFAOYSA-N
XLogP3.73
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 129275418) is 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1nc2ncc(Br)cc2n1Cc1ccccc1.
What is the InChIKey of 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XKABSZVFPXYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O/c21-14-8-18-19(22-11-14)23-20(24(18)12-13-4-2-1-3-5-13)25-15-6-7-16(25)10-17(26)9-15/h1-5,8,11,15-17,26H,6-7,9-10,12H2.
What are the key properties of 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 413.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 129275418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).