3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide

C20H19N7O4S — CID 137065910

About 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide

3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide (PubChem CID 137065910) has the molecular formula C20H19N7O4S and a molecular weight of 453.48 g/mol. Its IUPAC name is 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide
• PubChem CID: 137065910
• Molecular Formula: C20H19N7O4S
• Molecular Weight: 453.48 g/mol
• Exact Mass: 453.12
• IUPAC Name: 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide
• SMILES: CNS(=O)(=O)c1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
• InChI: InChI=1S/C20H19N7O4S/c1-21-32(30,31)14-4-2-3-11(7-14)15-9-17(23-13-5-6-13)27-18(24-15)12(10-22-27)8-16-19(28)26-20(29)25-16/h2-4,7-10,13,21,28H,5-6H2,1H3,(H2,25,26,29)/b12-8?,23-17+
• InChIKey: WJPXVNOLGAHPRT-PNICMWHXSA-N
• XLogP: -0.36
• TPSA: 157.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.48
LogP ≤ 5	-0.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide?

The IUPAC name of 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide (CID 137065910) is 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide.

What is the SMILES notation for 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide?

The canonical SMILES for 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1.

What is the InChIKey of 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide?

The InChIKey is WJPXVNOLGAHPRT-PNICMWHXSA-N. The full InChI is InChI=1S/C20H19N7O4S/c1-21-32(30,31)14-4-2-3-11(7-14)15-9-17(23-13-5-6-13)27-18(24-15)12(10-22-27)8-16-19(28)26-20(29)25-16/h2-4,7-10,13,21,28H,5-6H2,1H3,(H2,25,26,29)/b12-8?,23-17+.

What are the key properties of 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide?

3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 453.48 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 137065910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).