3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine

C17H15F3N4 — CID 162573212

IUPAC3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine
SMILESCC1=CC2=NC(=c3cc4c([nH]3)=CC=C(C(F)(F)F)C4)N(C)C2N=C1
InChIInChI=1S/C17H15F3N4/c1-9-5-13-15(21-8-9)24(2)16(23-13)14-7-10-6-11(17(18,19)20)3-4-12(10)22-14/h3-5,7-8,15,22H,6H2,1-2H3
InChIKeyZIJSWNQQQFRRPD-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.65
Rot. Bonds

About 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine

3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine (PubChem CID 162573212) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine
PubChem CID162573212
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine
SMILESCC1=CC2=NC(=c3cc4c([nH]3)=CC=C(C(F)(F)F)C4)N(C)C2N=C1
InChIInChI=1S/C17H15F3N4/c1-9-5-13-15(21-8-9)24(2)16(23-13)14-7-10-6-11(17(18,19)20)3-4-12(10)22-14/h3-5,7-8,15,22H,6H2,1-2H3
InChIKeyZIJSWNQQQFRRPD-UHFFFAOYSA-N
XLogP1.65
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine?
The IUPAC name of 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine (CID 162573212) is 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine?
The canonical SMILES for 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine is CC1=CC2=NC(=c3cc4c([nH]3)=CC=C(C(F)(F)F)C4)N(C)C2N=C1.
What is the InChIKey of 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine?
The InChIKey is ZIJSWNQQQFRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-9-5-13-15(21-8-9)24(2)16(23-13)14-7-10-6-11(17(18,19)20)3-4-12(10)22-14/h3-5,7-8,15,22H,6H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine?
3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine has a molecular weight of 332.33 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[5-(trifluoromethyl)-1,4-dihydroindol-2-ylidene]-3aH-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162573212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).