[1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid

C25H26N8O5S — CID 174172786

About [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid

[1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid (PubChem CID 174172786) has the molecular formula C25H26N8O5S and a molecular weight of 550.60 g/mol. Its IUPAC name is [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid.

Molecular Properties

• Compound Name: [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
• PubChem CID: 174172786
• Molecular Formula: C25H26N8O5S
• Molecular Weight: 550.60 g/mol
• Exact Mass: 550.17
• IUPAC Name: [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
• SMILES: CCCS(=O)(=O)Nc1ccc(-n2nc(CN(C)C(=O)O)c3cnc(-c4cnn5cccnc45)cc32)c(OC)c1
• InChI: InChI=1S/C25H26N8O5S/c1-4-10-39(36,37)30-16-6-7-21(23(11-16)38-3)33-22-12-19(18-14-28-32-9-5-8-26-24(18)32)27-13-17(22)20(29-33)15-31(2)25(34)35/h5-9,11-14,30H,4,10,15H2,1-3H3,(H,34,35)
• InChIKey: DJSXLADAUIRGDN-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 156.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.60
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?

The IUPAC name of [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid (CID 174172786) is [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid.

What is the SMILES notation for [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?

The canonical SMILES for [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid is CCCS(=O)(=O)Nc1ccc(-n2nc(CN(C)C(=O)O)c3cnc(-c4cnn5cccnc45)cc32)c(OC)c1.

What is the InChIKey of [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?

The InChIKey is DJSXLADAUIRGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O5S/c1-4-10-39(36,37)30-16-6-7-21(23(11-16)38-3)33-22-12-19(18-14-28-32-9-5-8-26-24(18)32)27-13-17(22)20(29-33)15-31(2)25(34)35/h5-9,11-14,30H,4,10,15H2,1-3H3,(H,34,35).

What are the key properties of [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?

[1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid has a molecular weight of 550.60 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 174172786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).