methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate

C12H12BrN3O2 — CID 117254652

IUPACmethyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CNC2)n2cccc(Br)c12
InChIInChI=1S/C12H12BrN3O2/c1-18-12(17)9-10-8(13)3-2-4-16(10)11(15-9)7-5-14-6-7/h2-4,7,14H,5-6H2,1H3
InChIKeyLHZYLCXDOBYECT-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.57
Rot. Bonds2

About methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254652) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254652
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Namemethyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CNC2)n2cccc(Br)c12
InChIInChI=1S/C12H12BrN3O2/c1-18-12(17)9-10-8(13)3-2-4-16(10)11(15-9)7-5-14-6-7/h2-4,7,14H,5-6H2,1H3
InChIKeyLHZYLCXDOBYECT-UHFFFAOYSA-N
XLogP1.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117255069
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
methyl 8-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254631
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117255037
methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117254749
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
3-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045

Frequently Asked Questions

What is the IUPAC name of methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate (CID 117254652) is methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CNC2)n2cccc(Br)c12.
What is the InChIKey of methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is LHZYLCXDOBYECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-18-12(17)9-10-8(13)3-2-4-16(10)11(15-9)7-5-14-6-7/h2-4,7,14H,5-6H2,1H3.
What are the key properties of methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 310.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).