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

C18H16F3N5 — CID 134450146

IUPAC8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(C)C)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C18H16F3N5/c1-9(2)13-4-5-26-16(23-17(25-26)18(19,20)21)14(13)11-6-10(3)15-12(7-11)8-22-24-15/h4-9H,1-3H3,(H,22,24)
InChIKeyYNIPVXPGGAICFQ-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.72
Rot. Bonds2

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

8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134450146) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134450146
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(C)C)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C18H16F3N5/c1-9(2)13-4-5-26-16(23-17(25-26)18(19,20)21)14(13)11-6-10(3)15-12(7-11)8-22-24-15/h4-9H,1-3H3,(H,22,24)
InChIKeyYNIPVXPGGAICFQ-UHFFFAOYSA-N
XLogP4.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134450146) is 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(C(C)C)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12.
What is the InChIKey of 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YNIPVXPGGAICFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c1-9(2)13-4-5-26-16(23-17(25-26)18(19,20)21)14(13)11-6-10(3)15-12(7-11)8-22-24-15/h4-9H,1-3H3,(H,22,24).
What are the key properties of 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 359.36 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methyl-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134450146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).