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

C20H16F3N5 — CID 140866012

IUPAC7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C3=CCCC3)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C20H16F3N5/c1-11-8-13(9-14-10-24-26-17(11)14)16-15(12-4-2-3-5-12)6-7-28-18(16)25-19(27-28)20(21,22)23/h4,6-10H,2-3,5H2,1H3,(H,24,26)
InChIKeyPVTTVNFNIYSGOM-UHFFFAOYSA-N
MW383.38 g/mol
LogP5.17
Rot. Bonds2

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

7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 140866012) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID140866012
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C3=CCCC3)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C20H16F3N5/c1-11-8-13(9-14-10-24-26-17(11)14)16-15(12-4-2-3-5-12)6-7-28-18(16)25-19(27-28)20(21,22)23/h4,6-10H,2-3,5H2,1H3,(H,24,26)
InChIKeyPVTTVNFNIYSGOM-UHFFFAOYSA-N
XLogP5.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 140866012) is 7-(cyclopenten-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-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(C3=CCCC3)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12.
What is the InChIKey of 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PVTTVNFNIYSGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-11-8-13(9-14-10-24-26-17(11)14)16-15(12-4-2-3-5-12)6-7-28-18(16)25-19(27-28)20(21,22)23/h4,6-10H,2-3,5H2,1H3,(H,24,26).
What are the key properties of 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 383.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopenten-1-yl)-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 140866012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).