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

C22H23FN2O2 — CID 51359968

IUPACmethyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C22H23FN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h5-6,9-12,14,16H,2-4,7-8,13H2,1H3
InChIKeyNIDIEQDFHVEQCH-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.90
Rot. Bonds4

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

methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359968) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359968
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Namemethyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C22H23FN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h5-6,9-12,14,16H,2-4,7-8,13H2,1H3
InChIKeyNIDIEQDFHVEQCH-UHFFFAOYSA-N
XLogP4.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51359968) is methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(F)c3)n2c1.
What is the InChIKey of methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is NIDIEQDFHVEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h5-6,9-12,14,16H,2-4,7-8,13H2,1H3.
What are the key properties of methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).