6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile

C23H17F3N8O3 — CID 164560227

About 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile

6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile (PubChem CID 164560227) has the molecular formula C23H17F3N8O3 and a molecular weight of 510.44 g/mol. Its IUPAC name is 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile.

Molecular Properties

• Compound Name: 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
• PubChem CID: 164560227
• Molecular Formula: C23H17F3N8O3
• Molecular Weight: 510.44 g/mol
• Exact Mass: 510.14
• IUPAC Name: 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
• SMILES: COc1c[nH]c2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)cn(C)c5=O)n(C)c4c3C#N)cc12
• InChI: InChI=1S/C23H17F3N8O3/c1-33-10-11(23(24,25)26)4-15(21(33)35)31-22-32-20-18(34(22)2)14(6-27)17(9-30-20)37-12-5-13-16(36-3)8-29-19(13)28-7-12/h4-5,7-10H,1-3H3,(H,28,29)(H,30,31,32)
• InChIKey: IZHUQCICVSNIPK-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 135.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.44
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

The IUPAC name of 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile (CID 164560227) is 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile.

What is the SMILES notation for 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

The canonical SMILES for 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile is COc1c[nH]c2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)cn(C)c5=O)n(C)c4c3C#N)cc12.

What is the InChIKey of 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

The InChIKey is IZHUQCICVSNIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N8O3/c1-33-10-11(23(24,25)26)4-15(21(33)35)31-22-32-20-18(34(22)2)14(6-27)17(9-30-20)37-12-5-13-16(36-3)8-29-19(13)28-7-12/h4-5,7-10H,1-3H3,(H,28,29)(H,30,31,32).

What are the key properties of 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile has a molecular weight of 510.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile is sourced from PubChem (CID 164560227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).