6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H20F6N8 — CID 155213560

About 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155213560) has the molecular formula C25H20F6N8 and a molecular weight of 546.48 g/mol. Its IUPAC name is 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 155213560
• Molecular Formula: C25H20F6N8
• Molecular Weight: 546.48 g/mol
• Exact Mass: 546.17
• IUPAC Name: 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: CC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(C(F)(F)F)nc3)c3nc(N)nn3c2)cn1
• InChI: InChI=1S/C25H20F6N8/c1-13(2)21(15-4-6-20(34-9-15)25(29,30)31)38-12-17(10-35-38)16-7-18(22-36-23(32)37-39(22)11-16)14-3-5-19(33-8-14)24(26,27)28/h3-13,21H,1-2H3,(H2,32,37)
• InChIKey: MXGIASJCYMKSHQ-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 99.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.48
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155213560) is 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(C(F)(F)F)nc3)c3nc(N)nn3c2)cn1.

What is the InChIKey of 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is MXGIASJCYMKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N8/c1-13(2)21(15-4-6-20(34-9-15)25(29,30)31)38-12-17(10-35-38)16-7-18(22-36-23(32)37-39(22)11-16)14-3-5-19(33-8-14)24(26,27)28/h3-13,21H,1-2H3,(H2,32,37).

What are the key properties of 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 546.48 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155213560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).