N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide

C34H25ClF2N4O4 — CID 142724353

About N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide

N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide (PubChem CID 142724353) has the molecular formula C34H25ClF2N4O4 and a molecular weight of 627.05 g/mol. Its IUPAC name is N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide
• PubChem CID: 142724353
• Molecular Formula: C34H25ClF2N4O4
• Molecular Weight: 627.05 g/mol
• Exact Mass: 626.15
• IUPAC Name: N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1CC(=O)Nc1ccc(Oc2ccnc3[nH]cc(-c4ccc(Cl)cc4)c23)c(F)c1
• InChI: InChI=1S/C34H25ClF2N4O4/c1-2-44-28-14-16-41(24-10-7-22(36)8-11-24)34(43)25(28)18-31(42)40-23-9-12-29(27(37)17-23)45-30-13-15-38-33-32(30)26(19-39-33)20-3-5-21(35)6-4-20/h3-17,19H,2,18H2,1H3,(H,38,39)(H,40,42)
• InChIKey: BFKULECQGTZEND-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 98.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.05
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide?

The IUPAC name of N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide (CID 142724353) is N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1CC(=O)Nc1ccc(Oc2ccnc3[nH]cc(-c4ccc(Cl)cc4)c23)c(F)c1.

What is the InChIKey of N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide?

The InChIKey is BFKULECQGTZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClF2N4O4/c1-2-44-28-14-16-41(24-10-7-22(36)8-11-24)34(43)25(28)18-31(42)40-23-9-12-29(27(37)17-23)45-30-13-15-38-33-32(30)26(19-39-33)20-3-5-21(35)6-4-20/h3-17,19H,2,18H2,1H3,(H,38,39)(H,40,42).

What are the key properties of N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide?

N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide has a molecular weight of 627.05 g/mol, XLogP of 7.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-[4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 142724353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).