1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol

C20H19F3N8O — CID 118324559

About 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol

1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 118324559) has the molecular formula C20H19F3N8O and a molecular weight of 444.42 g/mol. Its IUPAC name is 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol
• PubChem CID: 118324559
• Molecular Formula: C20H19F3N8O
• Molecular Weight: 444.42 g/mol
• Exact Mass: 444.16
• IUPAC Name: 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol
• SMILES: Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC(O)Cn3cccn3)nn2)c1
• InChI: InChI=1S/C20H19F3N8O/c1-13-7-16(17-12-31(29-28-17)11-15(32)10-30-6-2-4-25-30)26-19(8-13)27-18-9-14(3-5-24-18)20(21,22)23/h2-9,12,15,32H,10-11H2,1H3,(H,24,26,27)
• InChIKey: HTPSVTILOCLLEJ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 106.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.42
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol?

The IUPAC name of 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 118324559) is 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol.

What is the SMILES notation for 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol?

The canonical SMILES for 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC(O)Cn3cccn3)nn2)c1.

What is the InChIKey of 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol?

The InChIKey is HTPSVTILOCLLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O/c1-13-7-16(17-12-31(29-28-17)11-15(32)10-30-6-2-4-25-30)26-19(8-13)27-18-9-14(3-5-24-18)20(21,22)23/h2-9,12,15,32H,10-11H2,1H3,(H,24,26,27).

What are the key properties of 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol?

1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 444.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 118324559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).