1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C23H19N7O3 — CID 147730305

About 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 147730305) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
• PubChem CID: 147730305
• Molecular Formula: C23H19N7O3
• Molecular Weight: 441.45 g/mol
• Exact Mass: 441.15
• IUPAC Name: 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
• SMILES: Cc1cc(NC(=O)Nc2cccc(Oc3ccnc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
• InChI: InChI=1S/C23H19N7O3/c1-14-12-19(30(29-14)16-7-3-2-4-8-16)26-22(31)25-15-6-5-9-17(13-15)33-18-10-11-24-21-20(18)27-23(32)28-21/h2-13H,1H3,(H2,25,26,31)(H2,24,27,28,32)
• InChIKey: GYHFVNZDQZCRSL-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 129.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?

The IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 147730305) is 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

What is the SMILES notation for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?

The canonical SMILES for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is Cc1cc(NC(=O)Nc2cccc(Oc3ccnc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1.

What is the InChIKey of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?

The InChIKey is GYHFVNZDQZCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c1-14-12-19(30(29-14)16-7-3-2-4-8-16)26-22(31)25-15-6-5-9-17(13-15)33-18-10-11-24-21-20(18)27-23(32)28-21/h2-13H,1H3,(H2,25,26,31)(H2,24,27,28,32).

What are the key properties of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?

1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 441.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 147730305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).