5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine

C20H16FN7O2 — CID 172734652

About 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine

5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 172734652) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine
• PubChem CID: 172734652
• Molecular Formula: C20H16FN7O2
• Molecular Weight: 405.39 g/mol
• Exact Mass: 405.13
• IUPAC Name: 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine
• SMILES: C[C@@H](Cn1cnnn1)Oc1cc(-c2ccn3ncc(-c4ccoc4)c3n2)ccc1F
• InChI: InChI=1S/C20H16FN7O2/c1-13(10-27-12-22-25-26-27)30-19-8-14(2-3-17(19)21)18-4-6-28-20(24-18)16(9-23-28)15-5-7-29-11-15/h2-9,11-13H,10H2,1H3/t13-/m0/s1
• InChIKey: IGMQJGFRJDGYLU-ZDUSSCGKSA-N
• XLogP: 3.25
• TPSA: 96.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.39
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine (CID 172734652) is 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine is C[C@@H](Cn1cnnn1)Oc1cc(-c2ccn3ncc(-c4ccoc4)c3n2)ccc1F.

What is the InChIKey of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine?

The InChIKey is IGMQJGFRJDGYLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16FN7O2/c1-13(10-27-12-22-25-26-27)30-19-8-14(2-3-17(19)21)18-4-6-28-20(24-18)16(9-23-28)15-5-7-29-11-15/h2-9,11-13H,10H2,1H3/t13-/m0/s1.

What are the key properties of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine?

5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 405.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 172734652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).