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

C21H22N4O2 — CID 95843466

IUPAC2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCOc1ccc(Oc2cncc([C@@H]3CCCN3Cc3ccccn3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-26-17-7-9-18(10-8-17)27-21-14-22-13-19(24-21)20-6-4-12-25(20)15-16-5-2-3-11-23-16/h2-3,5,7-11,13-14,20H,4,6,12,15H2,1H3/t20-/m0/s1
InChIKeyYFGOXWSAJOTXIK-FQEVSTJZSA-N
MW362.43 g/mol
LogP4.01
Rot. Bonds6

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

2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 95843466) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID95843466
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCOc1ccc(Oc2cncc([C@@H]3CCCN3Cc3ccccn3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-26-17-7-9-18(10-8-17)27-21-14-22-13-19(24-21)20-6-4-12-25(20)15-16-5-2-3-11-23-16/h2-3,5,7-11,13-14,20H,4,6,12,15H2,1H3/t20-/m0/s1
InChIKeyYFGOXWSAJOTXIK-FQEVSTJZSA-N
XLogP4.01
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
CID 95844172
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659249
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95843678
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 95843466) is 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine is COc1ccc(Oc2cncc([C@@H]3CCCN3Cc3ccccn3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is YFGOXWSAJOTXIK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-26-17-7-9-18(10-8-17)27-21-14-22-13-19(24-21)20-6-4-12-25(20)15-16-5-2-3-11-23-16/h2-3,5,7-11,13-14,20H,4,6,12,15H2,1H3/t20-/m0/s1.
What are the key properties of 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 362.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95843466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).