8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine

C22H15F3N4 — CID 134474590

IUPAC8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2ccn3cc(C(F)(F)F)nc3c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C22H15F3N4/c1-13-2-4-14(5-3-13)17-8-9-29-12-19(22(23,24)25)27-21(29)20(17)15-6-7-18-16(10-15)11-26-28-18/h2-12H,1H3,(H,26,28)
InChIKeyJFLDITHQXHQBGS-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.87
Rot. Bonds2

About 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine

8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 134474590) has the molecular formula C22H15F3N4 and a molecular weight of 392.38 g/mol. Its IUPAC name is 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID134474590
Molecular FormulaC22H15F3N4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2ccn3cc(C(F)(F)F)nc3c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C22H15F3N4/c1-13-2-4-14(5-3-13)17-8-9-29-12-19(22(23,24)25)27-21(29)20(17)15-6-7-18-16(10-15)11-26-28-18/h2-12H,1H3,(H,26,28)
InChIKeyJFLDITHQXHQBGS-UHFFFAOYSA-N
XLogP5.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 134474590) is 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2ccn3cc(C(F)(F)F)nc3c2-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is JFLDITHQXHQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4/c1-13-2-4-14(5-3-13)17-8-9-29-12-19(22(23,24)25)27-21(29)20(17)15-6-7-18-16(10-15)11-26-28-18/h2-12H,1H3,(H,26,28).
What are the key properties of 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 392.38 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134474590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).