1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione

C20H16N4O4 — CID 135706692

About 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione

1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135706692) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
• PubChem CID: 135706692
• Molecular Formula: C20H16N4O4
• Molecular Weight: 376.37 g/mol
• Exact Mass: 376.12
• IUPAC Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
• SMILES: CCOc1ccc(-n2c(O)c(/C=C3/C=Nc4ncccc43)c(=O)[nH]c2=O)cc1
• InChI: InChI=1S/C20H16N4O4/c1-2-28-14-7-5-13(6-8-14)24-19(26)16(18(25)23-20(24)27)10-12-11-22-17-15(12)4-3-9-21-17/h3-11,26H,2H2,1H3,(H,23,25,27)/b12-10-
• InChIKey: SRFPWNJXTJOZHO-BENRWUELSA-N
• XLogP: 2.28
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.37
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135706692) is 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione is CCOc1ccc(-n2c(O)c(/C=C3/C=Nc4ncccc43)c(=O)[nH]c2=O)cc1.

What is the InChIKey of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

The InChIKey is SRFPWNJXTJOZHO-BENRWUELSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-2-28-14-7-5-13(6-8-14)24-19(26)16(18(25)23-20(24)27)10-12-11-22-17-15(12)4-3-9-21-17/h3-11,26H,2H2,1H3,(H,23,25,27)/b12-10-.

What are the key properties of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 376.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135706692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).