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

C15H13FN6O5 — CID 90319960

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

IUPAC2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)[C@H]1OCCN(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)/t11-,15?/m0/s1
InChIKeyHIXPGFRNULHZFP-VPHXOMNUSA-N
MW376.30 g/mol
LogP-0.76
Rot. Bonds4

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

2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid (PubChem CID 90319960) has the molecular formula C15H13FN6O5 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid
PubChem CID90319960
Molecular FormulaC15H13FN6O5
Molecular Weight376.30 g/mol
Exact Mass376.09
IUPAC Name2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)[C@H]1OCCN(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)/t11-,15?/m0/s1
InChIKeyHIXPGFRNULHZFP-VPHXOMNUSA-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-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
The IUPAC name of 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid (CID 90319960) is 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
The canonical SMILES for 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid is CC(O)(C(=O)O)[C@H]1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O.
What is the InChIKey of 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
The InChIKey is HIXPGFRNULHZFP-VPHXOMNUSA-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)/t11-,15?/m0/s1.
What are the key properties of 2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid?
2-[(2R)-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-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoic acid is sourced from PubChem (CID 90319960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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