[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone

C19H16FN7O2 — CID 126851385

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone (PubChem CID 126851385) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
• PubChem CID: 126851385
• Molecular Formula: C19H16FN7O2
• Molecular Weight: 393.38 g/mol
• Exact Mass: 393.13
• IUPAC Name: [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
• SMILES: Cc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)n2ncnc2n1
• InChI: InChI=1S/C19H16FN7O2/c1-11-6-17(27-19(23-11)21-10-22-27)29-14-8-26(9-14)18(28)16-7-15(24-25-16)12-2-4-13(20)5-3-12/h2-7,10,14H,8-9H2,1H3,(H,24,25)
• InChIKey: QZOKGFJYDUQTHJ-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.38
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?

The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone (CID 126851385) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone.

What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?

The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone is Cc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)n2ncnc2n1.

What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?

The InChIKey is QZOKGFJYDUQTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-11-6-17(27-19(23-11)21-10-22-27)29-14-8-26(9-14)18(28)16-7-15(24-25-16)12-2-4-13(20)5-3-12/h2-7,10,14H,8-9H2,1H3,(H,24,25).

What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone has a molecular weight of 393.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 126851385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).