1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea

C21H16N4O3 — CID 70320240

About 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea

1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea (PubChem CID 70320240) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
• PubChem CID: 70320240
• Molecular Formula: C21H16N4O3
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.12
• IUPAC Name: 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
• SMILES: O=C(Nc1cccc(O)c1)Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1
• InChI: InChI=1S/C21H16N4O3/c26-16-7-2-6-15(11-16)25-21(28)24-14-5-1-4-13(10-14)19(27)18-12-23-20-17(18)8-3-9-22-20/h1-12,26H,(H,22,23)(H2,24,25,28)
• InChIKey: KLGGKEXPJJTKLP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 107.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea?

The IUPAC name of 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea (CID 70320240) is 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea.

What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea?

The canonical SMILES for 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea is O=C(Nc1cccc(O)c1)Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1.

What is the InChIKey of 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea?

The InChIKey is KLGGKEXPJJTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-16-7-2-6-15(11-16)25-21(28)24-14-5-1-4-13(10-14)19(27)18-12-23-20-17(18)8-3-9-22-20/h1-12,26H,(H,22,23)(H2,24,25,28).

What are the key properties of 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea?

1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea has a molecular weight of 372.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea is sourced from PubChem (CID 70320240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).