4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

C23H19F3N6O2 — CID 170733818

About 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 170733818) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
• PubChem CID: 170733818
• Molecular Formula: C23H19F3N6O2
• Molecular Weight: 468.44 g/mol
• Exact Mass: 468.15
• IUPAC Name: 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1OC1CN(c2cnn3cccnc23)C1
• InChI: InChI=1S/C23H19F3N6O2/c1-14-3-4-15(22(33)30-17-8-16(9-27-10-17)23(24,25)26)7-20(14)34-18-12-31(13-18)19-11-29-32-6-2-5-28-21(19)32/h2-11,18H,12-13H2,1H3,(H,30,33)
• InChIKey: GPBZJCGSMRUHQT-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?

The IUPAC name of 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 170733818) is 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

What is the SMILES notation for 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?

The canonical SMILES for 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1OC1CN(c2cnn3cccnc23)C1.

What is the InChIKey of 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?

The InChIKey is GPBZJCGSMRUHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-14-3-4-15(22(33)30-17-8-16(9-27-10-17)23(24,25)26)7-20(14)34-18-12-31(13-18)19-11-29-32-6-2-5-28-21(19)32/h2-11,18H,12-13H2,1H3,(H,30,33).

What are the key properties of 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?

4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 468.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 170733818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).