5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C24H27FN4O4S — CID 159239608

About 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 159239608) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 159239608
• Molecular Formula: C24H27FN4O4S
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.17
• IUPAC Name: 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: C=S(=O)(NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)c4c(c3)OCCO4)cc12)C(C)C
• InChI: InChI=1S/C24H27FN4O4S/c1-15(2)34(3,31)27-24(30)18-14-26-29-8-6-17(13-21(18)29)28-7-4-5-20(28)16-11-19(25)23-22(12-16)32-9-10-33-23/h6,8,11-15,20H,3-5,7,9-10H2,1-2H3,(H,27,30,31)
• InChIKey: WDSXSXMZSMIIKY-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 159239608) is 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide is C=S(=O)(NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)c4c(c3)OCCO4)cc12)C(C)C.

What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WDSXSXMZSMIIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-15(2)34(3,31)27-24(30)18-14-26-29-8-6-17(13-21(18)29)28-7-4-5-20(28)16-11-19(25)23-22(12-16)32-9-10-33-23/h6,8,11-15,20H,3-5,7,9-10H2,1-2H3,(H,27,30,31).

What are the key properties of 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 159239608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).