methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate

C13H14F2N4O2 — CID 171484582

IUPACmethyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2ccnc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H14F2N4O2/c1-21-12(20)9-8-19-7-4-16-10(19)11(17-9)18-5-2-13(14,15)3-6-18/h4,7-8H,2-3,5-6H2,1H3
InChIKeyPVKFRNJTQOVOTI-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.75
Rot. Bonds2

About methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate

methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 171484582) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID171484582
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Namemethyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2ccnc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H14F2N4O2/c1-21-12(20)9-8-19-7-4-16-10(19)11(17-9)18-5-2-13(14,15)3-6-18/h4,7-8H,2-3,5-6H2,1H3
InChIKeyPVKFRNJTQOVOTI-UHFFFAOYSA-N
XLogP1.75
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4,4-dimethylpiperidin-1-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80823258
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594
methyl 2-(4,4-difluoroazepan-1-yl)-4,5-dimethylpyridine-3-carboxylate
CID 169124268
methyl 4-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]benzoate
CID 178034947
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10425966
1-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]ethanone
CID 80927836
1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid;methyl 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylate
CID 175894628
1-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-4-methylazepan-4-ol
CID 107409030
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617
8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 166378478
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
CID 150740136

Frequently Asked Questions

What is the IUPAC name of methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate (CID 171484582) is methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cn2ccnc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is PVKFRNJTQOVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-21-12(20)9-8-19-7-4-16-10(19)11(17-9)18-5-2-13(14,15)3-6-18/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate?
methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 171484582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).