2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid

C25H27N3O3 — CID 175960687

IUPAC2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCC1CCCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C25H27N3O3/c1-25(2,24(29)30)31-17-20-14-9-15-28(20)21-16-26-22(18-10-5-3-6-11-18)23(27-21)19-12-7-4-8-13-19/h3-8,10-13,16,20H,9,14-15,17H2,1-2H3,(H,29,30)
InChIKeyLTVIZADMVJCYTN-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.66
Rot. Bonds7

About 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid

2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid (PubChem CID 175960687) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid
PubChem CID175960687
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCC1CCCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C25H27N3O3/c1-25(2,24(29)30)31-17-20-14-9-15-28(20)21-16-26-22(18-10-5-3-6-11-18)23(27-21)19-12-7-4-8-13-19/h3-8,10-13,16,20H,9,14-15,17H2,1-2H3,(H,29,30)
InChIKeyLTVIZADMVJCYTN-UHFFFAOYSA-N
XLogP4.66
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid (CID 175960687) is 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid is CC(C)(OCC1CCCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is LTVIZADMVJCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-25(2,24(29)30)31-17-20-14-9-15-28(20)21-16-26-22(18-10-5-3-6-11-18)23(27-21)19-12-7-4-8-13-19/h3-8,10-13,16,20H,9,14-15,17H2,1-2H3,(H,29,30).
What are the key properties of 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 417.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 175960687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).