5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H16FN7S — CID 70737591

About 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70737591) has the molecular formula C19H16FN7S and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 70737591
• Molecular Formula: C19H16FN7S
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.12
• IUPAC Name: 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1nn2cc(CCNc3cc(-c4ccccc4F)nc4ccnn34)nc2s1
• InChI: InChI=1S/C19H16FN7S/c1-12-25-26-11-13(23-19(26)28-12)6-8-21-18-10-16(14-4-2-3-5-15(14)20)24-17-7-9-22-27(17)18/h2-5,7,9-11,21H,6,8H2,1H3
• InChIKey: WRJBPCQFWJRJJJ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 72.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70737591) is 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2cc(CCNc3cc(-c4ccccc4F)nc4ccnn34)nc2s1.

What is the InChIKey of 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is WRJBPCQFWJRJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7S/c1-12-25-26-11-13(23-19(26)28-12)6-8-21-18-10-16(14-4-2-3-5-15(14)20)24-17-7-9-22-27(17)18/h2-5,7,9-11,21H,6,8H2,1H3.

What are the key properties of 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70737591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).