1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid

C16H16ClN3O3 — CID 122048524

IUPAC1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cncc(OCc3cccc(Cl)c3)n2)C1
InChIInChI=1S/C16H16ClN3O3/c17-13-3-1-2-11(6-13)10-23-15-8-18-7-14(19-15)20-5-4-12(9-20)16(21)22/h1-3,6-8,12H,4-5,9-10H2,(H,21,22)
InChIKeyAKHYXSSABZAEGO-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.62
Rot. Bonds5

About 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid

1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 122048524) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID122048524
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cncc(OCc3cccc(Cl)c3)n2)C1
InChIInChI=1S/C16H16ClN3O3/c17-13-3-1-2-11(6-13)10-23-15-8-18-7-14(19-15)20-5-4-12(9-20)16(21)22/h1-3,6-8,12H,4-5,9-10H2,(H,21,22)
InChIKeyAKHYXSSABZAEGO-UHFFFAOYSA-N
XLogP2.62
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
CID 167949849
N-methyl-1-(6-phenylmethoxypyrazin-2-yl)piperidine-3-carboxamide
CID 154750088
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378215
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 171678769
1-(4-phenylmethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048489
5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
CID 171678776
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365129
trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 133495474
2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
CID 22482026
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid (CID 122048524) is 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cncc(OCc3cccc(Cl)c3)n2)C1.
What is the InChIKey of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is AKHYXSSABZAEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-3-1-2-11(6-13)10-23-15-8-18-7-14(19-15)20-5-4-12(9-20)16(21)22/h1-3,6-8,12H,4-5,9-10H2,(H,21,22).
What are the key properties of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 333.78 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).