methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate

C23H16ClN3O2 — CID 53299400

IUPACmethyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C23H16ClN3O2/c1-29-23(28)18-9-10-21-26-22(17-7-5-15(13-25)6-8-17)20(27(21)14-18)12-16-3-2-4-19(24)11-16/h2-11,14H,12H2,1H3
InChIKeyDCHYLKVDMFLZFL-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.90
Rot. Bonds4

About methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299400) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299400
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Namemethyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C23H16ClN3O2/c1-29-23(28)18-9-10-21-26-22(17-7-5-15(13-25)6-8-17)20(27(21)14-18)12-16-3-2-4-19(24)11-16/h2-11,14H,12H2,1H3
InChIKeyDCHYLKVDMFLZFL-UHFFFAOYSA-N
XLogP4.90
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299400) is methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(Cc3cccc(Cl)c3)n2c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is DCHYLKVDMFLZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c1-29-23(28)18-9-10-21-26-22(17-7-5-15(13-25)6-8-17)20(27(21)14-18)12-16-3-2-4-19(24)11-16/h2-11,14H,12H2,1H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 401.85 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).