2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine

C21H25N5O2 — CID 95823368

IUPAC2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
SMILESCOc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3cncn3C)C2)n1
InChIInChI=1S/C21H25N5O2/c1-25-15-23-10-17(25)14-26-9-5-6-16(13-26)18-11-22-12-21(24-18)28-20-8-4-3-7-19(20)27-2/h3-4,7-8,10-12,15-16H,5-6,9,13-14H2,1-2H3/t16-/m1/s1
InChIKeyPGZQFPOSYKJQMF-MRXNPFEDSA-N
MW379.46 g/mol
LogP3.39
Rot. Bonds6

About 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine

2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine (PubChem CID 95823368) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
PubChem CID95823368
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
SMILESCOc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3cncn3C)C2)n1
InChIInChI=1S/C21H25N5O2/c1-25-15-23-10-17(25)14-26-9-5-6-16(13-26)18-11-22-12-21(24-18)28-20-8-4-3-7-19(20)27-2/h3-4,7-8,10-12,15-16H,5-6,9,13-14H2,1-2H3/t16-/m1/s1
InChIKeyPGZQFPOSYKJQMF-MRXNPFEDSA-N
XLogP3.39
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
CID 95823426
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175658467
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95822642
2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine
CID 124950353
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357
2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
CID 95844081
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine (CID 95823368) is 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine is COc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3cncn3C)C2)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is PGZQFPOSYKJQMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-15-23-10-17(25)14-26-9-5-6-16(13-26)18-11-22-12-21(24-18)28-20-8-4-3-7-19(20)27-2/h3-4,7-8,10-12,15-16H,5-6,9,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine?
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 379.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 95823368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).