5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C18H15ClF3N5 — CID 134457816

About 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457816) has the molecular formula C18H15ClF3N5 and a molecular weight of 393.80 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 134457816
• Molecular Formula: C18H15ClF3N5
• Molecular Weight: 393.80 g/mol
• Exact Mass: 393.10
• IUPAC Name: 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
• InChI: InChI=1S/C18H15ClF3N5/c1-3-4-14-24-17-9(2)5-12(18(20,21)22)16(27(17)26-14)10-6-11-8-23-25-15(11)13(19)7-10/h5-8H,3-4H2,1-2H3,(H,23,25)
• InChIKey: LESAPQNMDUOCKH-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.80
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457816) is 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.

What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is LESAPQNMDUOCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5/c1-3-4-14-24-17-9(2)5-12(18(20,21)22)16(27(17)26-14)10-6-11-8-23-25-15(11)13(19)7-10/h5-8H,3-4H2,1-2H3,(H,23,25).

What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 393.80 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).