methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate

C12H14BrN3O2 — CID 117253236

IUPACmethyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC(C)N)n2c(Br)cccc12
InChIInChI=1S/C12H14BrN3O2/c1-7(14)6-10-15-11(12(17)18-2)8-4-3-5-9(13)16(8)10/h3-5,7H,6,14H2,1-2H3
InChIKeyVMUBDOBLLCLESA-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.77
Rot. Bonds3

About methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253236) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253236
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Namemethyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC(C)N)n2c(Br)cccc12
InChIInChI=1S/C12H14BrN3O2/c1-7(14)6-10-15-11(12(17)18-2)8-4-3-5-9(13)16(8)10/h3-5,7H,6,14H2,1-2H3
InChIKeyVMUBDOBLLCLESA-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252733
methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253238
5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253231
3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743102
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 137005772
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252948
methyl 5-amino-2-ethyl-1-(1-phenylpropan-2-yl)imidazole-4-carboxylate
CID 103545438
methyl 5-amino-1-[1-(4-bromophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545043

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate (CID 117253236) is methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC(C)N)n2c(Br)cccc12.
What is the InChIKey of methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is VMUBDOBLLCLESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7(14)6-10-15-11(12(17)18-2)8-4-3-5-9(13)16(8)10/h3-5,7H,6,14H2,1-2H3.
What are the key properties of methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 312.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).