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

C30H31ClN2O4 — CID 118326919

IUPACmethyl 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
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C30H31ClN2O4/c1-18-16-33-17-23(19-8-6-10-22(31)15-19)32-28(33)26(21-11-12-24-20(14-21)9-7-13-36-24)25(18)27(29(34)35-5)37-30(2,3)4/h6,8,10-12,14-17,27H,7,9,13H2,1-5H3
InChIKeyKVXKNLWLJDGYOG-UHFFFAOYSA-N
MW519.04 g/mol
LogP6.98
Rot. Bonds5

About 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

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 (PubChem CID 118326919) has the molecular formula C30H31ClN2O4 and a molecular weight of 519.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID118326919
Molecular FormulaC30H31ClN2O4
Molecular Weight519.04 g/mol
Exact Mass518.20
IUPAC Namemethyl 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
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C30H31ClN2O4/c1-18-16-33-17-23(19-8-6-10-22(31)15-19)32-28(33)26(21-11-12-24-20(14-21)9-7-13-36-24)25(18)27(29(34)35-5)37-30(2,3)4/h6,8,10-12,14-17,27H,7,9,13H2,1-5H3
InChIKeyKVXKNLWLJDGYOG-UHFFFAOYSA-N
XLogP6.98
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.04
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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 2-[2-(3-chlorophenyl)-6,8-dimethylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123837705
methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 59578462
methyl 2-[5-[(4-chlorobenzoyl)amino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90380241
methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-1,7-dimethyl-3,4-dihydro-2H-quinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134526417
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-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90377338
methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70855246
methyl 2-[3-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,1-dioxo-1-benzothiophen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70855543
ethane;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)-3-(trifluoromethylsulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 144603737
2-[5-[(3-chlorophenyl)methylsulfonylamino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,4,6-trimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380298
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 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?
The InChIKey is KVXKNLWLJDGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O4/c1-18-16-33-17-23(19-8-6-10-22(31)15-19)32-28(33)26(21-11-12-24-20(14-21)9-7-13-36-24)25(18)27(29(34)35-5)37-30(2,3)4/h6,8,10-12,14-17,27H,7,9,13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 519.04 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118326919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).