8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine

C14H15BrN4 — CID 115404965

IUPAC8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCCn1nc(C)c(-c2cn3cccc(Br)c3n2)c1C
InChIInChI=1S/C14H15BrN4/c1-4-19-10(3)13(9(2)17-19)12-8-18-7-5-6-11(15)14(18)16-12/h5-8H,4H2,1-3H3
InChIKeyRDLRBRJQGTVYEW-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.60
Rot. Bonds2

About 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine

8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 115404965) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine
PubChem CID115404965
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCCn1nc(C)c(-c2cn3cccc(Br)c3n2)c1C
InChIInChI=1S/C14H15BrN4/c1-4-19-10(3)13(9(2)17-19)12-8-18-7-5-6-11(15)14(18)16-12/h5-8H,4H2,1-3H3
InChIKeyRDLRBRJQGTVYEW-UHFFFAOYSA-N
XLogP3.60
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine (CID 115404965) is 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine is CCn1nc(C)c(-c2cn3cccc(Br)c3n2)c1C.
What is the InChIKey of 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is RDLRBRJQGTVYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-4-19-10(3)13(9(2)17-19)12-8-18-7-5-6-11(15)14(18)16-12/h5-8H,4H2,1-3H3.
What are the key properties of 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine?
8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 319.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 115404965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).