5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid

C20H20ClFN4O4 — CID 67469707

IUPAC5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCN(C3CCN(c4ncc(Cl)cc4F)CC3)C2=O)cn1
InChIInChI=1S/C20H20ClFN4O4/c21-12-9-15(22)18(24-10-12)25-6-3-13(4-7-25)26-8-5-17(19(26)27)30-14-1-2-16(20(28)29)23-11-14/h1-2,9-11,13,17H,3-8H2,(H,28,29)
InChIKeyJRGVARZRDGHYFR-UHFFFAOYSA-N
MW434.86 g/mol
LogP2.62
Rot. Bonds5

About 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid

5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid (PubChem CID 67469707) has the molecular formula C20H20ClFN4O4 and a molecular weight of 434.86 g/mol. Its IUPAC name is 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid
PubChem CID67469707
Molecular FormulaC20H20ClFN4O4
Molecular Weight434.86 g/mol
Exact Mass434.12
IUPAC Name5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCN(C3CCN(c4ncc(Cl)cc4F)CC3)C2=O)cn1
InChIInChI=1S/C20H20ClFN4O4/c21-12-9-15(22)18(24-10-12)25-6-3-13(4-7-25)26-8-5-17(19(26)27)30-14-1-2-16(20(28)29)23-11-14/h1-2,9-11,13,17H,3-8H2,(H,28,29)
InChIKeyJRGVARZRDGHYFR-UHFFFAOYSA-N
XLogP2.62
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid?
The IUPAC name of 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid (CID 67469707) is 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid is O=C(O)c1ccc(OC2CCN(C3CCN(c4ncc(Cl)cc4F)CC3)C2=O)cn1.
What is the InChIKey of 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid?
The InChIKey is JRGVARZRDGHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O4/c21-12-9-15(22)18(24-10-12)25-6-3-13(4-7-25)26-8-5-17(19(26)27)30-14-1-2-16(20(28)29)23-11-14/h1-2,9-11,13,17H,3-8H2,(H,28,29).
What are the key properties of 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid?
5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid has a molecular weight of 434.86 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 67469707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).