2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C23H19F4N5O2 — CID 155765608

About 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155765608) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
• PubChem CID: 155765608
• Molecular Formula: C23H19F4N5O2
• Molecular Weight: 473.43 g/mol
• Exact Mass: 473.15
• IUPAC Name: 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
• SMILES: CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccccc3F)ccn2)cn1
• InChI: InChI=1S/C23H19F4N5O2/c1-22(2,33)18-8-7-14(13-29-18)30-20-11-15(9-10-28-20)34-21-12-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,30)
• InChIKey: HCWUXXYHSBGZAM-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.43
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

The IUPAC name of 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155765608) is 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccccc3F)ccn2)cn1.

What is the InChIKey of 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

The InChIKey is HCWUXXYHSBGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-22(2,33)18-8-7-14(13-29-18)30-20-11-15(9-10-28-20)34-21-12-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,30).

What are the key properties of 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 473.43 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155765608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).