[5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid

C23H25N7O7S — CID 121398902

About [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid

[5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid (PubChem CID 121398902) has the molecular formula C23H25N7O7S and a molecular weight of 543.56 g/mol. Its IUPAC name is [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid.

Molecular Properties

• Compound Name: [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid
• PubChem CID: 121398902
• Molecular Formula: C23H25N7O7S
• Molecular Weight: 543.56 g/mol
• Exact Mass: 543.15
• IUPAC Name: [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid
• SMILES: Cc1cc(Cn2c(=O)n(Cc3cc(NC(=O)O)no3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)n(C)n1
• InChI: InChI=1S/C23H25N7O7S/c1-13-8-14(28(3)25-13)11-29-18-5-4-16(38(35,36)27-23(2)6-7-23)10-17(18)20(31)30(22(29)34)12-15-9-19(26-37-15)24-21(32)33/h4-5,8-10,27H,6-7,11-12H2,1-3H3,(H,24,26)(H,32,33)
• InChIKey: JYQFMIOVAXIHIU-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 183.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.56
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?

The IUPAC name of [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid (CID 121398902) is [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid.

What is the SMILES notation for [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?

The canonical SMILES for [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid is Cc1cc(Cn2c(=O)n(Cc3cc(NC(=O)O)no3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)n(C)n1.

What is the InChIKey of [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?

The InChIKey is JYQFMIOVAXIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O7S/c1-13-8-14(28(3)25-13)11-29-18-5-4-16(38(35,36)27-23(2)6-7-23)10-17(18)20(31)30(22(29)34)12-15-9-19(26-37-15)24-21(32)33/h4-5,8-10,27H,6-7,11-12H2,1-3H3,(H,24,26)(H,32,33).

What are the key properties of [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?

[5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid has a molecular weight of 543.56 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid is sourced from PubChem (CID 121398902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).