2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H26FN5O5S — CID 140661551

About 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140661551) has the molecular formula C23H26FN5O5S and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 140661551
• Molecular Formula: C23H26FN5O5S
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.16
• IUPAC Name: 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc2c1C(N)=O
• InChI: InChI=1S/C23H26FN5O5S/c1-3-27(2)35(31,32)23-20(22(25)30)18-13-15(6-8-29(18)26-23)28-7-4-5-17(28)16-11-14(24)12-19-21(16)34-10-9-33-19/h6,8,11-13,17H,3-5,7,9-10H2,1-2H3,(H2,25,30)
• InChIKey: WWRXMRGGVHHLNS-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 119.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140661551) is 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc2c1C(N)=O.

What is the InChIKey of 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WWRXMRGGVHHLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5S/c1-3-27(2)35(31,32)23-20(22(25)30)18-13-15(6-8-29(18)26-23)28-7-4-5-17(28)16-11-14(24)12-19-21(16)34-10-9-33-19/h6,8,11-13,17H,3-5,7,9-10H2,1-2H3,(H2,25,30).

What are the key properties of 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl(methyl)sulfamoyl]-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140661551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).