2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C20H20BrClN2O3 — CID 118326910

IUPAC2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cn2cc(-c3cccc(Cl)c3)nc2c(Br)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C20H20BrClN2O3/c1-11-9-24-10-14(12-6-5-7-13(22)8-12)23-18(24)16(21)15(11)17(19(25)26)27-20(2,3)4/h5-10,17H,1-4H3,(H,25,26)
InChIKeyMYMZXMVVEQGLFC-UHFFFAOYSA-N
MW451.75 g/mol
LogP5.67
Rot. Bonds4

About 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118326910) has the molecular formula C20H20BrClN2O3 and a molecular weight of 451.75 g/mol. Its IUPAC name is 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID118326910
Molecular FormulaC20H20BrClN2O3
Molecular Weight451.75 g/mol
Exact Mass450.03
IUPAC Name2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cn2cc(-c3cccc(Cl)c3)nc2c(Br)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C20H20BrClN2O3/c1-11-9-24-10-14(12-6-5-7-13(22)8-12)23-18(24)16(21)15(11)17(19(25)26)27-20(2,3)4/h5-10,17H,1-4H3,(H,25,26)
InChIKeyMYMZXMVVEQGLFC-UHFFFAOYSA-N
XLogP5.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.75
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123837705
(2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118326876
methyl 2-[2-(3-chlorophenyl)-8-(3,4-dihydro-2H-chromen-6-yl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118326919
(2S)-2-[2-(3-bromophenyl)-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 86699804
(2S)-2-[5-[3-(3-chlorophenyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 146000923
2-[5-bromo-2,6-dimethyl-4-(4-methylphenyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 126601977
methyl (2S)-2-[2-(3-chlorophenyl)-5-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 66693736
methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118335756
(2S)-2-[3-(3-chlorophenyl)-7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66693053
2-[4-(3-chloro-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 78036888
2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 135288739
(2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118909502

Frequently Asked Questions

What is the IUPAC name of 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118326910) is 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cn2cc(-c3cccc(Cl)c3)nc2c(Br)c1C(OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is MYMZXMVVEQGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O3/c1-11-9-24-10-14(12-6-5-7-13(22)8-12)23-18(24)16(21)15(11)17(19(25)26)27-20(2,3)4/h5-10,17H,1-4H3,(H,25,26).
What are the key properties of 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 451.75 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118326910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).