methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate

C15H15FN2O2 — CID 117128314

IUPACmethyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2nc(-c3cccc(F)c3)cn2C1
InChIInChI=1S/C15H15FN2O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-4,7,9,11H,5-6,8H2,1H3
InChIKeyMYHDIWZYUBGLAR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.42
Rot. Bonds2

About methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 117128314) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID117128314
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2nc(-c3cccc(F)c3)cn2C1
InChIInChI=1S/C15H15FN2O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-4,7,9,11H,5-6,8H2,1H3
InChIKeyMYHDIWZYUBGLAR-UHFFFAOYSA-N
XLogP2.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
CID 177207887
(7S)-2-(3-fluorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462538
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128226
2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117128450
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
CID 117153662
2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 82391245
propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate
CID 19367610
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248583
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
methyl 5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate
CID 10753120
methyl 2-[3-(3-fluorophenyl)propyl]-3-iodo-4,5,6,7-tetrahydroindazole-6-carboxylate
CID 119052303

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate (CID 117128314) is methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)C1CCc2nc(-c3cccc(F)c3)cn2C1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is MYHDIWZYUBGLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-4,7,9,11H,5-6,8H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 274.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 117128314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).