5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C16H14FN5O4 — CID 146530176

About 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146530176) has the molecular formula C16H14FN5O4 and a molecular weight of 359.32 g/mol. Its IUPAC name is 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 146530176
• Molecular Formula: C16H14FN5O4
• Molecular Weight: 359.32 g/mol
• Exact Mass: 359.10
• IUPAC Name: 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: O=C(O)c1cnn2ccc(N3CCOCC3c3cc(F)c[nH]c3=O)nc12
• InChI: InChI=1S/C16H14FN5O4/c17-9-5-10(15(23)18-6-9)12-8-26-4-3-21(12)13-1-2-22-14(20-13)11(7-19-22)16(24)25/h1-2,5-7,12H,3-4,8H2,(H,18,23)(H,24,25)
• InChIKey: FYVXDEFJKGWPJL-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 112.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.32
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146530176) is 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CCOCC3c3cc(F)c[nH]c3=O)nc12.

What is the InChIKey of 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is FYVXDEFJKGWPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O4/c17-9-5-10(15(23)18-6-9)12-8-26-4-3-21(12)13-1-2-22-14(20-13)11(7-19-22)16(24)25/h1-2,5-7,12H,3-4,8H2,(H,18,23)(H,24,25).

What are the key properties of 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 359.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(5-fluoro-2-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146530176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).