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2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid

C15H13FN6O5 — CID 90319963

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)C1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O
InChIInChI=1S/C15H13FN6O5/c1-15(26,14(24)25)11-13(23)21(2-3-27-11)12-10(16)7-22(20-12)9-4-8(5-17)19-18-6-9/h4,6-7,11,26H,2-3H2,1H3,(H,24,25)
InChIKeyHIXPGFRNULHZFP-UHFFFAOYSA-N
MW376.30 g/mol
LogP-0.76
Rot. Bonds4

About 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid

2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid (PubChem CID 90319963) has the molecular formula C15H13FN6O5 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid
PubChem CID90319963
Molecular FormulaC15H13FN6O5
Molecular Weight376.30 g/mol
Exact Mass376.09
IUPAC Name2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)C1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O
InChIInChI=1S/C15H13FN6O5/c1-15(26,14(24)25)11-13(23)21(2-3-27-11)12-10(16)7-22(20-12)9-4-8(5-17)19-18-6-9/h4,6-7,11,26H,2-3H2,1H3,(H,24,25)
InChIKeyHIXPGFRNULHZFP-UHFFFAOYSA-N
XLogP-0.76
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
The IUPAC name of 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid (CID 90319963) is 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid.
What is the SMILES notation for 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
The canonical SMILES for 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid is CC(O)(C(=O)O)C1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O.
What is the InChIKey of 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
The InChIKey is HIXPGFRNULHZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O5/c1-15(26,14(24)25)11-13(23)21(2-3-27-11)12-10(16)7-22(20-12)9-4-8(5-17)19-18-6-9/h4,6-7,11,26H,2-3H2,1H3,(H,24,25).
What are the key properties of 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid has a molecular weight of 376.30 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid is sourced from PubChem (CID 90319963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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