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

C12H14BrN3O2 — CID 117255037

IUPACmethyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CCCN)n2cccc(Br)c12
InChIInChI=1S/C12H14BrN3O2/c1-18-12(17)10-11-8(13)4-3-7-16(11)9(15-10)5-2-6-14/h3-4,7H,2,5-6,14H2,1H3
InChIKeyKQWCWWSYXNNAGJ-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.77
Rot. Bonds4

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

methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117255037) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117255037
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Namemethyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CCCN)n2cccc(Br)c12
InChIInChI=1S/C12H14BrN3O2/c1-18-12(17)10-11-8(13)4-3-7-16(11)9(15-10)5-2-6-14/h3-4,7H,2,5-6,14H2,1H3
InChIKeyKQWCWWSYXNNAGJ-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117255069
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937
3-(3-aminopropyl)-1-bromoimidazo[1,5-a]pyridin-8-ol
CID 117255001
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253835
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254652
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743000
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254990

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate (CID 117255037) is methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CCCN)n2cccc(Br)c12.
What is the InChIKey of methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is KQWCWWSYXNNAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-18-12(17)10-11-8(13)4-3-7-16(11)9(15-10)5-2-6-14/h3-4,7H,2,5-6,14H2,1H3.
What are the key properties of methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 312.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117255037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).