methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate

C24H22ClN3O5 — CID 68618616

IUPACmethyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate
SMILESCOC(=O)OCc1cc(-c2cccc(Cl)c2)c2nc(C)c(C3C=CN(C(=O)OC)C=C3)n2c1
InChIInChI=1S/C24H22ClN3O5/c1-15-21(17-7-9-27(10-8-17)23(29)31-2)28-13-16(14-33-24(30)32-3)11-20(22(28)26-15)18-5-4-6-19(25)12-18/h4-13,17H,14H2,1-3H3
InChIKeyYODJVNJYPMACHA-UHFFFAOYSA-N
MW467.91 g/mol
LogP5.44
Rot. Bonds4

About methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate

methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate (PubChem CID 68618616) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate
PubChem CID68618616
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC Namemethyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate
SMILESCOC(=O)OCc1cc(-c2cccc(Cl)c2)c2nc(C)c(C3C=CN(C(=O)OC)C=C3)n2c1
InChIInChI=1S/C24H22ClN3O5/c1-15-21(17-7-9-27(10-8-17)23(29)31-2)28-13-16(14-33-24(30)32-3)11-20(22(28)26-15)18-5-4-6-19(25)12-18/h4-13,17H,14H2,1-3H3
InChIKeyYODJVNJYPMACHA-UHFFFAOYSA-N
XLogP5.44
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.91
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate (CID 68618616) is methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate is COC(=O)OCc1cc(-c2cccc(Cl)c2)c2nc(C)c(C3C=CN(C(=O)OC)C=C3)n2c1.
What is the InChIKey of methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate?
The InChIKey is YODJVNJYPMACHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-15-21(17-7-9-27(10-8-17)23(29)31-2)28-13-16(14-33-24(30)32-3)11-20(22(28)26-15)18-5-4-6-19(25)12-18/h4-13,17H,14H2,1-3H3.
What are the key properties of methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate?
methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate has a molecular weight of 467.91 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate is sourced from PubChem (CID 68618616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).