1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea

C28H23N7O4 — CID 137301436

About 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea

1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea (PubChem CID 137301436) has the molecular formula C28H23N7O4 and a molecular weight of 521.54 g/mol. Its IUPAC name is 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
• PubChem CID: 137301436
• Molecular Formula: C28H23N7O4
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.18
• IUPAC Name: 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
• SMILES: Cc1ccc(-n2nc(O)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)n(C)c34)c3ccccc23)cc1
• InChI: InChI=1S/C28H23N7O4/c1-16-7-9-17(10-8-16)35-23(15-24(36)33-35)31-27(37)30-20-11-12-21(19-6-4-3-5-18(19)20)39-22-13-14-29-26-25(22)34(2)28(38)32-26/h3-15H,1-2H3,(H,33,36)(H,29,32,38)(H2,30,31,37)
• InChIKey: IZYBAIFINPLUCQ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 139.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea?

The IUPAC name of 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea (CID 137301436) is 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea.

What is the SMILES notation for 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea?

The canonical SMILES for 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea is Cc1ccc(-n2nc(O)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)n(C)c34)c3ccccc23)cc1.

What is the InChIKey of 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea?

The InChIKey is IZYBAIFINPLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O4/c1-16-7-9-17(10-8-16)35-23(15-24(36)33-35)31-27(37)30-20-11-12-21(19-6-4-3-5-18(19)20)39-22-13-14-29-26-25(22)34(2)28(38)32-26/h3-15H,1-2H3,(H,33,36)(H,29,32,38)(H2,30,31,37).

What are the key properties of 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea?

1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea has a molecular weight of 521.54 g/mol, XLogP of 5.05, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea is sourced from PubChem (CID 137301436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).