6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine

C23H22BrN3O2 — CID 46937789

IUPAC6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C23H22BrN3O2/c1-14-6-5-7-15(2)21(14)26-23-22(25-20-11-8-16(24)13-27(20)23)18-10-9-17(28-3)12-19(18)29-4/h5-13,26H,1-4H3
InChIKeyQOWHUQMWCZRFSG-UHFFFAOYSA-N
MW452.35 g/mol
LogP6.14
Rot. Bonds5

About 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 46937789) has the molecular formula C23H22BrN3O2 and a molecular weight of 452.35 g/mol. Its IUPAC name is 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID46937789
Molecular FormulaC23H22BrN3O2
Molecular Weight452.35 g/mol
Exact Mass451.09
IUPAC Name6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C23H22BrN3O2/c1-14-6-5-7-15(2)21(14)26-23-22(25-20-11-8-16(24)13-27(20)23)18-10-9-17(28-3)12-19(18)29-4/h5-13,26H,1-4H3
InChIKeyQOWHUQMWCZRFSG-UHFFFAOYSA-N
XLogP6.14
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 46937789) is 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(-c2nc3ccc(Br)cn3c2Nc2c(C)cccc2C)c(OC)c1.
What is the InChIKey of 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QOWHUQMWCZRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O2/c1-14-6-5-7-15(2)21(14)26-23-22(25-20-11-8-16(24)13-27(20)23)18-10-9-17(28-3)12-19(18)29-4/h5-13,26H,1-4H3.
What are the key properties of 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 452.35 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 46937789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).