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

C19H19FN2O2 — CID 51359967

IUPACmethyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCc1nc2ccc(C(=O)OC)cn2c1Cc1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c1-3-5-16-17(11-13-6-4-7-15(20)10-13)22-12-14(19(23)24-2)8-9-18(22)21-16/h4,6-10,12H,3,5,11H2,1-2H3
InChIKeyQNLCZCFKBFLBPO-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.80
Rot. Bonds5

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

methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359967) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359967
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Namemethyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCc1nc2ccc(C(=O)OC)cn2c1Cc1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c1-3-5-16-17(11-13-6-4-7-15(20)10-13)22-12-14(19(23)24-2)8-9-18(22)21-16/h4,6-10,12H,3,5,11H2,1-2H3
InChIKeyQNLCZCFKBFLBPO-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate (CID 51359967) is methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate is CCCc1nc2ccc(C(=O)OC)cn2c1Cc1cccc(F)c1.
What is the InChIKey of methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is QNLCZCFKBFLBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-5-16-17(11-13-6-4-7-15(20)10-13)22-12-14(19(23)24-2)8-9-18(22)21-16/h4,6-10,12H,3,5,11H2,1-2H3.
What are the key properties of methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).