3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

C15H16BrN5 — CID 138744418

IUPAC3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1cnc(Br)cn1
InChIInChI=1S/C15H16BrN5/c1-4-13-20-14-9(2)5-10(3)19-15(14)21(13)8-11-6-18-12(16)7-17-11/h5-7H,4,8H2,1-3H3
InChIKeyJSRDODQIBAHBOS-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.21
Rot. Bonds3

About 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine (PubChem CID 138744418) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
PubChem CID138744418
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1cnc(Br)cn1
InChIInChI=1S/C15H16BrN5/c1-4-13-20-14-9(2)5-10(3)19-15(14)21(13)8-11-6-18-12(16)7-17-11/h5-7H,4,8H2,1-3H3
InChIKeyJSRDODQIBAHBOS-UHFFFAOYSA-N
XLogP3.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine (CID 138744418) is 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1cnc(Br)cn1.
What is the InChIKey of 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The InChIKey is JSRDODQIBAHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-4-13-20-14-9(2)5-10(3)19-15(14)21(13)8-11-6-18-12(16)7-17-11/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine has a molecular weight of 346.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138744418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).