2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide

C21H25Br2N3O2 — CID 135335049

IUPAC2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide
SMILESBr.COc1cc(OC(C)C)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1Br
InChIInChI=1S/C21H24BrN3O2.BrH/c1-14(2)27-19-12-20(26-3)17(22)11-16(19)18-13-25-9-6-15(10-21(25)23-18)24-7-4-5-8-24;/h6,9-14H,4-5,7-8H2,1-3H3;1H
InChIKeyPZIVYYXFMDZKJI-UHFFFAOYSA-N
MW511.26 g/mol
LogP5.74
Rot. Bonds5

About 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide

2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide (PubChem CID 135335049) has the molecular formula C21H25Br2N3O2 and a molecular weight of 511.26 g/mol. Its IUPAC name is 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide.

Molecular Properties

Compound Name2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide
PubChem CID135335049
Molecular FormulaC21H25Br2N3O2
Molecular Weight511.26 g/mol
Exact Mass509.03
IUPAC Name2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide
SMILESBr.COc1cc(OC(C)C)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1Br
InChIInChI=1S/C21H24BrN3O2.BrH/c1-14(2)27-19-12-20(26-3)17(22)11-16(19)18-13-25-9-6-15(10-21(25)23-18)24-7-4-5-8-24;/h6,9-14H,4-5,7-8H2,1-3H3;1H
InChIKeyPZIVYYXFMDZKJI-UHFFFAOYSA-N
XLogP5.74
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.26
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide?
The IUPAC name of 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide (CID 135335049) is 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide.
What is the SMILES notation for 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide?
The canonical SMILES for 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide is Br.COc1cc(OC(C)C)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1Br.
What is the InChIKey of 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide?
The InChIKey is PZIVYYXFMDZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2.BrH/c1-14(2)27-19-12-20(26-3)17(22)11-16(19)18-13-25-9-6-15(10-21(25)23-18)24-7-4-5-8-24;/h6,9-14H,4-5,7-8H2,1-3H3;1H.
What are the key properties of 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide?
2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide has a molecular weight of 511.26 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methoxy-2-propan-2-yloxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine;hydrobromide is sourced from PubChem (CID 135335049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).