6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid

C23H17ClF3N5O6 — CID 162335204

About 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid

6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 162335204) has the molecular formula C23H17ClF3N5O6 and a molecular weight of 551.87 g/mol. Its IUPAC name is 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
• PubChem CID: 162335204
• Molecular Formula: C23H17ClF3N5O6
• Molecular Weight: 551.87 g/mol
• Exact Mass: 551.08
• IUPAC Name: 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
• SMILES: CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cncc(OC)c3)c2c1Cl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H16ClN5O4.C2HF3O2/c1-3-14-18(22)17-19(25-14)26-21(31-13-7-16-15(24-10-13)4-5-29-16)27-20(17)30-12-6-11(28-2)8-23-9-12;3-2(4,5)1(6)7/h4-10H,3H2,1-2H3,(H,25,26,27);(H,6,7)
• InChIKey: PAENECWCNWIETD-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 145.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.87
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid (CID 162335204) is 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid is CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cncc(OC)c3)c2c1Cl.O=C(O)C(F)(F)F.

What is the InChIKey of 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?

The InChIKey is PAENECWCNWIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O4.C2HF3O2/c1-3-14-18(22)17-19(25-14)26-21(31-13-7-16-15(24-10-13)4-5-29-16)27-20(17)30-12-6-11(28-2)8-23-9-12;3-2(4,5)1(6)7/h4-10H,3H2,1-2H3,(H,25,26,27);(H,6,7).

What are the key properties of 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?

6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 551.87 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162335204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).