2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine

C16H17F2N3 — CID 110114099

IUPAC2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
SMILESCc1cncc(C2CCCN2Cc2cc(F)ccc2F)n1
InChIInChI=1S/C16H17F2N3/c1-11-8-19-9-15(20-11)16-3-2-6-21(16)10-12-7-13(17)4-5-14(12)18/h4-5,7-9,16H,2-3,6,10H2,1H3
InChIKeyCJPODMBYATVBPD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine

2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine (PubChem CID 110114099) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
PubChem CID110114099
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
SMILESCc1cncc(C2CCCN2Cc2cc(F)ccc2F)n1
InChIInChI=1S/C16H17F2N3/c1-11-8-19-9-15(20-11)16-3-2-6-21(16)10-12-7-13(17)4-5-14(12)18/h4-5,7-9,16H,2-3,6,10H2,1H3
InChIKeyCJPODMBYATVBPD-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95836145
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340
3-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809446
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358
2-methyl-6-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125006832
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010299
2-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010300
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124955216
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110096404

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine?
The IUPAC name of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine (CID 110114099) is 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine?
The canonical SMILES for 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine is Cc1cncc(C2CCCN2Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine?
The InChIKey is CJPODMBYATVBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-11-8-19-9-15(20-11)16-3-2-6-21(16)10-12-7-13(17)4-5-14(12)18/h4-5,7-9,16H,2-3,6,10H2,1H3.
What are the key properties of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine?
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine has a molecular weight of 289.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine is sourced from PubChem (CID 110114099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).