6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C17H19N5O3S — CID 153363289

About 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 153363289) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 153363289
• Molecular Formula: C17H19N5O3S
• Molecular Weight: 373.44 g/mol
• Exact Mass: 373.12
• IUPAC Name: 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
• SMILES: CCCCOc1cc(OC)cn2nc(-c3cn4nc(OC)sc4n3)cc12
• InChI: InChI=1S/C17H19N5O3S/c1-4-5-6-25-15-7-11(23-2)9-21-14(15)8-12(19-21)13-10-22-16(18-13)26-17(20-22)24-3/h7-10H,4-6H2,1-3H3
• InChIKey: ZNFHMICAXWZNCA-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 75.18 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.44
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 153363289) is 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is CCCCOc1cc(OC)cn2nc(-c3cn4nc(OC)sc4n3)cc12.

What is the InChIKey of 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is ZNFHMICAXWZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-4-5-6-25-15-7-11(23-2)9-21-14(15)8-12(19-21)13-10-22-16(18-13)26-17(20-22)24-3/h7-10H,4-6H2,1-3H3.

What are the key properties of 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?

6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 373.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 153363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).