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

C22H23N7O4S — CID 137304546

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

N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide (PubChem CID 137304546) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide
• PubChem CID: 137304546
• Molecular Formula: C22H23N7O4S
• Molecular Weight: 481.54 g/mol
• Exact Mass: 481.15
• IUPAC Name: N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1cccc(-c2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1
• InChI: InChI=1S/C22H23N7O4S/c1-2-8-34(32,33)28-16-5-3-4-13(9-16)17-11-19(24-15-6-7-15)29-20(25-17)14(12-23-29)10-18-21(30)27-22(31)26-18/h3-5,9-12,15,28,30H,2,6-8H2,1H3,(H2,26,27,31)/b14-10+,24-19+
• InChIKey: DCLBUTNRXDCEDK-FPNDNFIJSA-N
• XLogP: 0.88
• TPSA: 157.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.54
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide (CID 137304546) is N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide.

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

The canonical SMILES for N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1.

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

The InChIKey is DCLBUTNRXDCEDK-FPNDNFIJSA-N. The full InChI is InChI=1S/C22H23N7O4S/c1-2-8-34(32,33)28-16-5-3-4-13(9-16)17-11-19(24-15-6-7-15)29-20(25-17)14(12-23-29)10-18-21(30)27-22(31)26-18/h3-5,9-12,15,28,30H,2,6-8H2,1H3,(H2,26,27,31)/b14-10+,24-19+.

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

N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide has a molecular weight of 481.54 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 137304546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).