8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C20H20F2N8O2S — CID 144870539

About 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 144870539) has the molecular formula C20H20F2N8O2S and a molecular weight of 474.50 g/mol. Its IUPAC name is 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 144870539
• Molecular Formula: C20H20F2N8O2S
• Molecular Weight: 474.50 g/mol
• Exact Mass: 474.14
• IUPAC Name: 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1noc(CNC(=O)c2cc(/N=C(\NN)C(C)(F)F)c3ncc(-c4ccc(C)s4)n3c2)n1
• InChI: InChI=1S/C20H20F2N8O2S/c1-10-4-5-15(33-10)14-7-24-17-13(27-19(28-23)20(3,21)22)6-12(9-30(14)17)18(31)25-8-16-26-11(2)29-32-16/h4-7,9H,8,23H2,1-3H3,(H,25,31)(H,27,28)
• InChIKey: PYTODKMPORFEBR-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 135.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.50
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 144870539) is 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1noc(CNC(=O)c2cc(/N=C(\NN)C(C)(F)F)c3ncc(-c4ccc(C)s4)n3c2)n1.

What is the InChIKey of 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is PYTODKMPORFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N8O2S/c1-10-4-5-15(33-10)14-7-24-17-13(27-19(28-23)20(3,21)22)6-12(9-30(14)17)18(31)25-8-16-26-11(2)29-32-16/h4-7,9H,8,23H2,1-3H3,(H,25,31)(H,27,28).

What are the key properties of 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 144870539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).