1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine

C12H14BrN3O — CID 117254809

IUPAC1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
SMILESCOc1cccn2c(C3CCCN3)nc(Br)c12
InChIInChI=1S/C12H14BrN3O/c1-17-9-5-3-7-16-10(9)11(13)15-12(16)8-4-2-6-14-8/h3,5,7-8,14H,2,4,6H2,1H3
InChIKeyJDGYKXLVNYNGOR-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.53
Rot. Bonds2

About 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine

1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine (PubChem CID 117254809) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
PubChem CID117254809
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
SMILESCOc1cccn2c(C3CCCN3)nc(Br)c12
InChIInChI=1S/C12H14BrN3O/c1-17-9-5-3-7-16-10(9)11(13)15-12(16)8-4-2-6-14-8/h3,5,7-8,14H,2,4,6H2,1H3
InChIKeyJDGYKXLVNYNGOR-UHFFFAOYSA-N
XLogP2.53
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
1-bromo-8-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazine
CID 71226157
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-6-ol
CID 117253655
8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750916
8-bromo-3-methyl-2-pyrrolidin-2-ylimidazo[1,2-a]pyridine
CID 115051574
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
1-bromo-6-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
CID 84744073
8-methoxy-2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136536
8-methoxy-2-piperidin-2-ylimidazo[1,2-a]pyridine
CID 115038434
8-methyl-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750908
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine (CID 117254809) is 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine is COc1cccn2c(C3CCCN3)nc(Br)c12.
What is the InChIKey of 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
The InChIKey is JDGYKXLVNYNGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-9-5-3-7-16-10(9)11(13)15-12(16)8-4-2-6-14-8/h3,5,7-8,14H,2,4,6H2,1H3.
What are the key properties of 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine has a molecular weight of 296.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117254809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).