2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C25H21F3N6 — CID 136627168

IUPAC2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCCC5c4ccccc4C(F)(F)F)cc3c2)cn1
InChIInChI=1S/C25H21F3N6/c1-15-13-33(14-29-15)17-8-9-21-16(11-17)12-22(30-21)23-31-24-19(6-4-10-34(24)32-23)18-5-2-3-7-20(18)25(26,27)28/h2-3,5,7-9,11-14,19,30H,4,6,10H2,1H3
InChIKeyHKIVSISKULYZKI-UHFFFAOYSA-N
MW462.48 g/mol
LogP5.87
Rot. Bonds3

About 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 136627168) has the molecular formula C25H21F3N6 and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID136627168
Molecular FormulaC25H21F3N6
Molecular Weight462.48 g/mol
Exact Mass462.18
IUPAC Name2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCCC5c4ccccc4C(F)(F)F)cc3c2)cn1
InChIInChI=1S/C25H21F3N6/c1-15-13-33(14-29-15)17-8-9-21-16(11-17)12-22(30-21)23-31-24-19(6-4-10-34(24)32-23)18-5-2-3-7-20(18)25(26,27)28/h2-3,5,7-9,11-14,19,30H,4,6,10H2,1H3
InChIKeyHKIVSISKULYZKI-UHFFFAOYSA-N
XLogP5.87
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 136627168) is 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCCC5c4ccccc4C(F)(F)F)cc3c2)cn1.
What is the InChIKey of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HKIVSISKULYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6/c1-15-13-33(14-29-15)17-8-9-21-16(11-17)12-22(30-21)23-31-24-19(6-4-10-34(24)32-23)18-5-2-3-7-20(18)25(26,27)28/h2-3,5,7-9,11-14,19,30H,4,6,10H2,1H3.
What are the key properties of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 462.48 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 136627168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).