tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate

C12H15BrN4O2 — CID 22308601

IUPACtert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H15BrN4O2/c1-12(2,3)19-11(18)15-6-9-16-8-4-7(13)5-14-10(8)17-9/h4-5H,6H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeySOSHAWWCUKHGRS-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate

tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate (PubChem CID 22308601) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
PubChem CID22308601
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Nametert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H15BrN4O2/c1-12(2,3)19-11(18)15-6-9-16-8-4-7(13)5-14-10(8)17-9/h4-5H,6H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeySOSHAWWCUKHGRS-UHFFFAOYSA-N
XLogP2.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromo-4-azabenzimidazole
CID 911578
3H-Imidazo(4,5-b)pyridine, 6-bromo-5-methyl-
CID 5310884
ethyl N-{[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl}glycinate
CID 665339
6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
7-Bromo-1H-imidazo(4,5-b)pyridine
CID 53423966
2-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 665096
(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
CID 54595385
1-(6-bromo-1H-imidazo(4,5-b)pyridin-2-yl)ethan-1-ol
CID 342999
6-bromo-2-cyclohexyl-3H-imidazo[4,5-b]pyridine
CID 23025811
3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60176182
3-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-N-(3-morpholinopropyl)propanamide
CID 60179802
6-bromo-3H-imidazo(4,5-b)pyridine-2-carboxylic acid
CID 22308600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate (CID 22308601) is tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
The InChIKey is SOSHAWWCUKHGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-12(2,3)19-11(18)15-6-9-16-8-4-7(13)5-14-10(8)17-9/h4-5H,6H2,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate has a molecular weight of 327.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 22308601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).