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

C18H15F3N6 — CID 134450106

IUPAC7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(N3CCC3)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C18H15F3N6/c1-10-7-11(8-12-9-22-24-15(10)12)14-13(26-4-2-5-26)3-6-27-16(14)23-17(25-27)18(19,20)21/h3,6-9H,2,4-5H2,1H3,(H,22,24)
InChIKeyBUSMMEKEWJWVMS-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.81
Rot. Bonds2

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

7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134450106) has the molecular formula C18H15F3N6 and a molecular weight of 372.35 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134450106
Molecular FormulaC18H15F3N6
Molecular Weight372.35 g/mol
Exact Mass372.13
IUPAC Name7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(N3CCC3)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C18H15F3N6/c1-10-7-11(8-12-9-22-24-15(10)12)14-13(26-4-2-5-26)3-6-27-16(14)23-17(25-27)18(19,20)21/h3,6-9H,2,4-5H2,1H3,(H,22,24)
InChIKeyBUSMMEKEWJWVMS-UHFFFAOYSA-N
XLogP3.81
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134450106) is 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(N3CCC3)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12.
What is the InChIKey of 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BUSMMEKEWJWVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6/c1-10-7-11(8-12-9-22-24-15(10)12)14-13(26-4-2-5-26)3-6-27-16(14)23-17(25-27)18(19,20)21/h3,6-9H,2,4-5H2,1H3,(H,22,24).
What are the key properties of 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 372.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134450106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).