ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C18H19FN6O3 — CID 146531002

About ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 146531002) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 146531002
• Molecular Formula: C18H19FN6O3
• Molecular Weight: 386.39 g/mol
• Exact Mass: 386.15
• IUPAC Name: ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2ccc(N3CCNCC3c3cc(F)c[nH]c3=O)nc12
• InChI: InChI=1S/C18H19FN6O3/c1-2-28-18(27)13-9-22-25-5-3-15(23-16(13)25)24-6-4-20-10-14(24)12-7-11(19)8-21-17(12)26/h3,5,7-9,14,20H,2,4,6,10H2,1H3,(H,21,26)
• InChIKey: PCRMRMPSRJVKMM-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.39
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 146531002) is ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCNCC3c3cc(F)c[nH]c3=O)nc12.

What is the InChIKey of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is PCRMRMPSRJVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-2-28-18(27)13-9-22-25-5-3-15(23-16(13)25)24-6-4-20-10-14(24)12-7-11(19)8-21-17(12)26/h3,5,7-9,14,20H,2,4,6,10H2,1H3,(H,21,26).

What are the key properties of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 386.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 146531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).