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

C22H23FN2O2 — CID 53299401

IUPACmethyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C22H23FN2O2/c1-27-22(26)17-9-12-20-24-21(16-7-10-18(23)11-8-16)19(25(20)14-17)13-15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3
InChIKeyGVSJMDFJCQBBQT-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.05
Rot. Bonds4

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

methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299401) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299401
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Namemethyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C22H23FN2O2/c1-27-22(26)17-9-12-20-24-21(16-7-10-18(23)11-8-16)19(25(20)14-17)13-15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3
InChIKeyGVSJMDFJCQBBQT-UHFFFAOYSA-N
XLogP5.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299401) is methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(CC3CCCCC3)n2c1.
What is the InChIKey of methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is GVSJMDFJCQBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-27-22(26)17-9-12-20-24-21(16-7-10-18(23)11-8-16)19(25(20)14-17)13-15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3.
What are the key properties of methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).