1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C32H33F3N6 — CID 166682576

About 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 166682576) has the molecular formula C32H33F3N6 and a molecular weight of 558.65 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
• PubChem CID: 166682576
• Molecular Formula: C32H33F3N6
• Molecular Weight: 558.65 g/mol
• Exact Mass: 558.27
• IUPAC Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
• SMILES: CC(C)c1cn(CC(C)c2cn(CC(C)c3cn(C)c4ncccc34)c3nc(C(F)(F)F)ccc23)c2ncccc12
• InChI: InChI=1S/C32H33F3N6/c1-19(2)25-17-40(30-22(25)8-6-13-37-30)14-21(4)27-18-41(31-24(27)10-11-28(38-31)32(33,34)35)15-20(3)26-16-39(5)29-23(26)9-7-12-36-29/h6-13,16-21H,14-15H2,1-5H3
• InChIKey: GCSTYUVTQSEZPN-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.65
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 166682576) is 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is CC(C)c1cn(CC(C)c2cn(CC(C)c3cn(C)c4ncccc34)c3nc(C(F)(F)F)ccc23)c2ncccc12.

What is the InChIKey of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?

The InChIKey is GCSTYUVTQSEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6/c1-19(2)25-17-40(30-22(25)8-6-13-37-30)14-21(4)27-18-41(31-24(27)10-11-28(38-31)32(33,34)35)15-20(3)26-16-39(5)29-23(26)9-7-12-36-29/h6-13,16-21H,14-15H2,1-5H3.

What are the key properties of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?

1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 558.65 g/mol, XLogP of 8.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]-3-[1-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166682576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).