2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine

C20H25N3O3 — CID 95844081

IUPAC2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
SMILESCOc1ccccc1Oc1cncc([C@@H]2CCCN2C2CCOCC2)n1
InChIInChI=1S/C20H25N3O3/c1-24-18-6-2-3-7-19(18)26-20-14-21-13-16(22-20)17-5-4-10-23(17)15-8-11-25-12-9-15/h2-3,6-7,13-15,17H,4-5,8-12H2,1H3/t17-/m0/s1
InChIKeyWFWYYZOHFXTYCF-KRWDZBQOSA-N
MW355.44 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine

2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine (PubChem CID 95844081) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
PubChem CID95844081
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
SMILESCOc1ccccc1Oc1cncc([C@@H]2CCCN2C2CCOCC2)n1
InChIInChI=1S/C20H25N3O3/c1-24-18-6-2-3-7-19(18)26-20-14-21-13-16(22-20)17-5-4-10-23(17)15-8-11-25-12-9-15/h2-3,6-7,13-15,17H,4-5,8-12H2,1H3/t17-/m0/s1
InChIKeyWFWYYZOHFXTYCF-KRWDZBQOSA-N
XLogP3.59
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
CID 95844073
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
1-[2-[6-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110270198
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
CID 95823426
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636501
8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260884
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
2-chloro-6-(2-methoxyphenoxy)pyrazine
CID 61057285
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine (CID 95844081) is 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine is COc1ccccc1Oc1cncc([C@@H]2CCCN2C2CCOCC2)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The InChIKey is WFWYYZOHFXTYCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-24-18-6-2-3-7-19(18)26-20-14-21-13-16(22-20)17-5-4-10-23(17)15-8-11-25-12-9-15/h2-3,6-7,13-15,17H,4-5,8-12H2,1H3/t17-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine has a molecular weight of 355.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95844081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).