2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol

C22H18F4N6O — CID 118324530

About 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol

2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol (PubChem CID 118324530) has the molecular formula C22H18F4N6O and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol
• PubChem CID: 118324530
• Molecular Formula: C22H18F4N6O
• Molecular Weight: 458.42 g/mol
• Exact Mass: 458.15
• IUPAC Name: 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol
• SMILES: Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(C(CO)c3ccc(F)cc3)nn2)c1
• InChI: InChI=1S/C22H18F4N6O/c1-13-8-17(28-21(9-13)29-20-10-15(6-7-27-20)22(24,25)26)18-11-32(31-30-18)19(12-33)14-2-4-16(23)5-3-14/h2-11,19,33H,12H2,1H3,(H,27,28,29)
• InChIKey: UGIZIVWQWOXMFS-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.42
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol?

The IUPAC name of 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol (CID 118324530) is 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol.

What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol?

The canonical SMILES for 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(C(CO)c3ccc(F)cc3)nn2)c1.

What is the InChIKey of 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol?

The InChIKey is UGIZIVWQWOXMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O/c1-13-8-17(28-21(9-13)29-20-10-15(6-7-27-20)22(24,25)26)18-11-32(31-30-18)19(12-33)14-2-4-16(23)5-3-14/h2-11,19,33H,12H2,1H3,(H,27,28,29).

What are the key properties of 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol?

2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol has a molecular weight of 458.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol is sourced from PubChem (CID 118324530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).