4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide

C18H24N10O4S — CID 163574273

About 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 163574273) has the molecular formula C18H24N10O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide
• PubChem CID: 163574273
• Molecular Formula: C18H24N10O4S
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.17
• IUPAC Name: 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide
• SMILES: CN(C)S(=O)(=O)N1CCN(c2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1
• InChI: InChI=1S/C18H24N10O4S/c1-25(2)33(31,32)27-7-5-26(6-8-27)16-22-14-11(9-13-15(29)23-18(30)21-13)10-19-28(14)17(24-16)20-12-3-4-12/h9-10,12,29H,3-8H2,1-2H3,(H2,21,23,30)/b11-9?,20-17+
• InChIKey: WGUGXHKABGUXGW-RFCAMDBPSA-N
• XLogP: -2.61
• TPSA: 168.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	-2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?

The IUPAC name of 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 163574273) is 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide.

What is the SMILES notation for 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?

The canonical SMILES for 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1.

What is the InChIKey of 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?

The InChIKey is WGUGXHKABGUXGW-RFCAMDBPSA-N. The full InChI is InChI=1S/C18H24N10O4S/c1-25(2)33(31,32)27-7-5-26(6-8-27)16-22-14-11(9-13-15(29)23-18(30)21-13)10-19-28(14)17(24-16)20-12-3-4-12/h9-10,12,29H,3-8H2,1-2H3,(H2,21,23,30)/b11-9?,20-17+.

What are the key properties of 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?

4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 476.52 g/mol, XLogP of -2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 163574273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).