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

C34H26ClF2N5O4 — CID 142724367

About N-[4-[[3-(3-amino-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-(3-amino-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 142724367) has the molecular formula C34H26ClF2N5O4 and a molecular weight of 642.06 g/mol. Its IUPAC name is N-[4-[[3-(3-amino-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-(3-amino-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: 142724367
• Molecular Formula: C34H26ClF2N5O4
• Molecular Weight: 642.06 g/mol
• Exact Mass: 641.16
• IUPAC Name: N-[4-[[3-(3-amino-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)c(N)c4)c23)c(F)c1
• InChI: InChI=1S/C34H26ClF2N5O4/c1-2-45-28-12-14-42(22-7-4-20(36)5-8-22)34(44)23(28)17-31(43)41-21-6-10-29(26(37)16-21)46-30-11-13-39-33-32(30)24(18-40-33)19-3-9-25(35)27(38)15-19/h3-16,18H,2,17,38H2,1H3,(H,39,40)(H,41,43)
• InChIKey: WTOOBBGKTYIPPT-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 124.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.06
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-amino-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-(3-amino-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 142724367) is N-[4-[[3-(3-amino-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-(3-amino-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-(3-amino-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)c(N)c4)c23)c(F)c1.

What is the InChIKey of N-[4-[[3-(3-amino-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 WTOOBBGKTYIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26ClF2N5O4/c1-2-45-28-12-14-42(22-7-4-20(36)5-8-22)34(44)23(28)17-31(43)41-21-6-10-29(26(37)16-21)46-30-11-13-39-33-32(30)24(18-40-33)19-3-9-25(35)27(38)15-19/h3-16,18H,2,17,38H2,1H3,(H,39,40)(H,41,43).

What are the key properties of N-[4-[[3-(3-amino-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-(3-amino-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 642.06 g/mol, XLogP of 7.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-(3-amino-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 142724367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).