5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C23H21F3N4 — CID 58259413

About 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58259413) has the molecular formula C23H21F3N4 and a molecular weight of 410.44 g/mol. Its IUPAC name is 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 58259413
• Molecular Formula: C23H21F3N4
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.17
• IUPAC Name: 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cc1cnc2[nH]cc(Cc3cnc(CCc4ccc(C(F)(F)F)nc4)c(C)c3)c2c1
• InChI: InChI=1S/C23H21F3N4/c1-14-7-19-18(13-30-22(19)29-10-14)9-17-8-15(2)20(27-12-17)5-3-16-4-6-21(28-11-16)23(24,25)26/h4,6-8,10-13H,3,5,9H2,1-2H3,(H,29,30)
• InChIKey: JRUUOUWGQRDMMT-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58259413) is 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc(Cc3cnc(CCc4ccc(C(F)(F)F)nc4)c(C)c3)c2c1.

What is the InChIKey of 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is JRUUOUWGQRDMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4/c1-14-7-19-18(13-30-22(19)29-10-14)9-17-8-15(2)20(27-12-17)5-3-16-4-6-21(28-11-16)23(24,25)26/h4,6-8,10-13H,3,5,9H2,1-2H3,(H,29,30).

What are the key properties of 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 410.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58259413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).