2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C17H16BrN3O3 — CID 170879863

IUPAC2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCOc1cccc(-c2nc3ccc(Br)cn3c2CC(N)C(=O)O)c1
InChIInChI=1S/C17H16BrN3O3/c1-24-12-4-2-3-10(7-12)16-14(8-13(19)17(22)23)21-9-11(18)5-6-15(21)20-16/h2-7,9,13H,8,19H2,1H3,(H,22,23)
InChIKeyRRYJEMMIFOJEBJ-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 170879863) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID170879863
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCOc1cccc(-c2nc3ccc(Br)cn3c2CC(N)C(=O)O)c1
InChIInChI=1S/C17H16BrN3O3/c1-24-12-4-2-3-10(7-12)16-14(8-13(19)17(22)23)21-9-11(18)5-6-15(21)20-16/h2-7,9,13H,8,19H2,1H3,(H,22,23)
InChIKeyRRYJEMMIFOJEBJ-UHFFFAOYSA-N
XLogP2.73
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617918
3-(hydroxymethyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46224342
3-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882694
[2-(3-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46224159
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203563
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 51360616

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 170879863) is 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is COc1cccc(-c2nc3ccc(Br)cn3c2CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is RRYJEMMIFOJEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-24-12-4-2-3-10(7-12)16-14(8-13(19)17(22)23)21-9-11(18)5-6-15(21)20-16/h2-7,9,13H,8,19H2,1H3,(H,22,23).
What are the key properties of 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 390.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 170879863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).