methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C22H25ClN2O3 — CID 123837705

IUPACmethyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1C
InChIInChI=1S/C22H25ClN2O3/c1-13-11-25-12-17(15-8-7-9-16(23)10-15)24-20(25)14(2)18(13)19(21(26)27-6)28-22(3,4)5/h7-12,19H,1-6H3
InChIKeyQBKAPDNEGBYBGG-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.30
Rot. Bonds4

About methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 123837705) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID123837705
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Namemethyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1C
InChIInChI=1S/C22H25ClN2O3/c1-13-11-25-12-17(15-8-7-9-16(23)10-15)24-20(25)14(2)18(13)19(21(26)27-6)28-22(3,4)5/h7-12,19H,1-6H3
InChIKeyQBKAPDNEGBYBGG-UHFFFAOYSA-N
XLogP5.30
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

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Related Compounds

2-[8-bromo-2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118326910
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
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
(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 (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
methyl (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]acetate
CID 66695907
methyl (2S)-2-[6-(aminomethyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 59578488
methyl 2-[7-chloro-2-[3-(4-fluoro-2-hydroxyphenyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123347957
methyl 2-[2-(3-bromophenyl)-7,8-dimethyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118308862
methyl (2S)-2-[4-(4-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 162734848
methyl (2S)-2-[2-amino-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 86699793
2-(4-chlorophenoxy)-2-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 121055731

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 123837705) is methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1C.
What is the InChIKey of methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is QBKAPDNEGBYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-13-11-25-12-17(15-8-7-9-16(23)10-15)24-20(25)14(2)18(13)19(21(26)27-6)28-22(3,4)5/h7-12,19H,1-6H3.
What are the key properties of methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 400.91 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 123837705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).