2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid

C25H26N2O6 — CID 123278796

IUPAC2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid
SMILESO=C(O)CC1CC(=O)c2cc(N3CCC(Oc4ccc(OCCC5CC5)nc4)C3=O)ccc21
InChIInChI=1S/C25H26N2O6/c28-21-11-16(12-24(29)30)19-5-3-17(13-20(19)21)27-9-7-22(25(27)31)33-18-4-6-23(26-14-18)32-10-8-15-1-2-15/h3-6,13-16,22H,1-2,7-12H2,(H,29,30)
InChIKeyLPBZIQHWZUFFBQ-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.59
Rot. Bonds9

About 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid

2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid (PubChem CID 123278796) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid
PubChem CID123278796
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid
SMILESO=C(O)CC1CC(=O)c2cc(N3CCC(Oc4ccc(OCCC5CC5)nc4)C3=O)ccc21
InChIInChI=1S/C25H26N2O6/c28-21-11-16(12-24(29)30)19-5-3-17(13-20(19)21)27-9-7-22(25(27)31)33-18-4-6-23(26-14-18)32-10-8-15-1-2-15/h3-6,13-16,22H,1-2,7-12H2,(H,29,30)
InChIKeyLPBZIQHWZUFFBQ-UHFFFAOYSA-N
XLogP3.59
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid?
The IUPAC name of 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid (CID 123278796) is 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid is O=C(O)CC1CC(=O)c2cc(N3CCC(Oc4ccc(OCCC5CC5)nc4)C3=O)ccc21.
What is the InChIKey of 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid?
The InChIKey is LPBZIQHWZUFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c28-21-11-16(12-24(29)30)19-5-3-17(13-20(19)21)27-9-7-22(25(27)31)33-18-4-6-23(26-14-18)32-10-8-15-1-2-15/h3-6,13-16,22H,1-2,7-12H2,(H,29,30).
What are the key properties of 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid?
2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid has a molecular weight of 450.49 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid is sourced from PubChem (CID 123278796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).