5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide

C17H13F3N4O2S — CID 178144375

IUPAC5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C(F)F)c1cnn2c(F)cc(SCc3ccccc3)cc12
InChIInChI=1S/C17H13F3N4O2S/c18-14-7-11(27-9-10-4-2-1-3-5-10)6-13-12(8-21-24(13)14)16(25)22-23-17(26)15(19)20/h1-8,15H,9H2,(H,22,25)(H,23,26)
InChIKeyWOYYNZJMYMPCCJ-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.79
Rot. Bonds5

About 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide

5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide (PubChem CID 178144375) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide
PubChem CID178144375
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C(F)F)c1cnn2c(F)cc(SCc3ccccc3)cc12
InChIInChI=1S/C17H13F3N4O2S/c18-14-7-11(27-9-10-4-2-1-3-5-10)6-13-12(8-21-24(13)14)16(25)22-23-17(26)15(19)20/h1-8,15H,9H2,(H,22,25)(H,23,26)
InChIKeyWOYYNZJMYMPCCJ-UHFFFAOYSA-N
XLogP2.79
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide?
The IUPAC name of 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide (CID 178144375) is 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide.
What is the SMILES notation for 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide?
The canonical SMILES for 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide is O=C(NNC(=O)C(F)F)c1cnn2c(F)cc(SCc3ccccc3)cc12.
What is the InChIKey of 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide?
The InChIKey is WOYYNZJMYMPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-14-7-11(27-9-10-4-2-1-3-5-10)6-13-12(8-21-24(13)14)16(25)22-23-17(26)15(19)20/h1-8,15H,9H2,(H,22,25)(H,23,26).
What are the key properties of 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide?
5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide has a molecular weight of 394.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 178144375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).