1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine

C17H18BrN3 — CID 134387919

IUPAC1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2nc3cc(C)ccn3c2Br)c(C)c1
InChIInChI=1S/C17H18BrN3/c1-11-6-7-21-15(8-11)20-16(17(21)18)14-5-4-13(10-19-3)9-12(14)2/h4-9,19H,10H2,1-3H3
InChIKeyZTGODDCJYGGUMO-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.10
Rot. Bonds3

About 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine

1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 134387919) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine
PubChem CID134387919
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2nc3cc(C)ccn3c2Br)c(C)c1
InChIInChI=1S/C17H18BrN3/c1-11-6-7-21-15(8-11)20-16(17(21)18)14-5-4-13(10-19-3)9-12(14)2/h4-9,19H,10H2,1-3H3
InChIKeyZTGODDCJYGGUMO-UHFFFAOYSA-N
XLogP4.10
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine (CID 134387919) is 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(-c2nc3cc(C)ccn3c2Br)c(C)c1.
What is the InChIKey of 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is ZTGODDCJYGGUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-11-6-7-21-15(8-11)20-16(17(21)18)14-5-4-13(10-19-3)9-12(14)2/h4-9,19H,10H2,1-3H3.
What are the key properties of 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 344.26 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 134387919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).