5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide

C24H24FN7O4S — CID 166905167

About 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide

5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 166905167) has the molecular formula C24H24FN7O4S and a molecular weight of 525.57 g/mol. Its IUPAC name is 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide
• PubChem CID: 166905167
• Molecular Formula: C24H24FN7O4S
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.16
• IUPAC Name: 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide
• SMILES: CCS(=O)(=O)Nc1ccc(-c2[nH]nc(Nc3cnc(C)cn3)c2C(N)=O)cc1OCc1ccc(F)cc1
• InChI: InChI=1S/C24H24FN7O4S/c1-3-37(34,35)32-18-9-6-16(10-19(18)36-13-15-4-7-17(25)8-5-15)22-21(23(26)33)24(31-30-22)29-20-12-27-14(2)11-28-20/h4-12,32H,3,13H2,1-2H3,(H2,26,33)(H2,28,29,30,31)
• InChIKey: LVIGLSPVNWSILB-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 164.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide (CID 166905167) is 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide is CCS(=O)(=O)Nc1ccc(-c2[nH]nc(Nc3cnc(C)cn3)c2C(N)=O)cc1OCc1ccc(F)cc1.

What is the InChIKey of 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide?

The InChIKey is LVIGLSPVNWSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O4S/c1-3-37(34,35)32-18-9-6-16(10-19(18)36-13-15-4-7-17(25)8-5-15)22-21(23(26)33)24(31-30-22)29-20-12-27-14(2)11-28-20/h4-12,32H,3,13H2,1-2H3,(H2,26,33)(H2,28,29,30,31).

What are the key properties of 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide?

5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 3.50, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166905167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).