8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C12H14BrN3O2 — CID 117254990

IUPAC8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNC(C)Cc1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C12H14BrN3O2/c1-7(14-2)6-9-15-10(12(17)18)11-8(13)4-3-5-16(9)11/h3-5,7,14H,6H2,1-2H3,(H,17,18)
InChIKeyFEVWVGCECUUTSJ-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.95
Rot. Bonds4

About 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254990) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254990
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNC(C)Cc1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C12H14BrN3O2/c1-7(14-2)6-9-15-10(12(17)18)11-8(13)4-3-5-16(9)11/h3-5,7,14H,6H2,1-2H3,(H,17,18)
InChIKeyFEVWVGCECUUTSJ-UHFFFAOYSA-N
XLogP1.95
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
1-(1-bromo-8-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
CID 117254967
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254990) is 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is CNC(C)Cc1nc(C(=O)O)c2c(Br)cccn12.
What is the InChIKey of 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FEVWVGCECUUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7(14-2)6-9-15-10(12(17)18)11-8(13)4-3-5-16(9)11/h3-5,7,14H,6H2,1-2H3,(H,17,18).
What are the key properties of 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 312.17 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).