N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide

C22H25N7O4S — CID 126491470

About N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide

N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide (PubChem CID 126491470) has the molecular formula C22H25N7O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide
• PubChem CID: 126491470
• Molecular Formula: C22H25N7O4S
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.17
• IUPAC Name: N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(O)NC4=O)c3n2)c1
• InChI: InChI=1S/C22H25N7O4S/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/h3-5,9-12,15,22,24,26,28,31H,2,6-8H2,1H3,(H,27,30)/b18-10-
• InChIKey: RZZCKYYFTPNYQY-ZDLGFXPLSA-N
• XLogP: 1.46
• TPSA: 149.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide (CID 126491470) is N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(O)NC4=O)c3n2)c1.

What is the InChIKey of N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide?

The InChIKey is RZZCKYYFTPNYQY-ZDLGFXPLSA-N. The full InChI is InChI=1S/C22H25N7O4S/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/h3-5,9-12,15,22,24,26,28,31H,2,6-8H2,1H3,(H,27,30)/b18-10-.

What are the key properties of N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide?

N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide has a molecular weight of 483.55 g/mol, XLogP of 1.46, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(cyclopropylamino)-3-[(Z)-(2-hydroxy-5-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 126491470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).