2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole

C27H22N8OS — CID 145057211

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 145057211) has the molecular formula C27H22N8OS and a molecular weight of 506.60 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole
• PubChem CID: 145057211
• Molecular Formula: C27H22N8OS
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.16
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole
• SMILES: CCc1nc2scc(C#Cc3ccncc3)n2c1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
• InChI: InChI=1S/C20H15N3S.C7H7N5O/c1-2-18-19(16-6-4-3-5-7-16)23-17(14-24-20(23)22-18)9-8-15-10-12-21-13-11-15;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-7,10-14H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13)
• InChIKey: LFFQZNYAGCQURS-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 129.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole?

The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole (CID 145057211) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole is CCc1nc2scc(C#Cc3ccncc3)n2c1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12.

What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole?

The InChIKey is LFFQZNYAGCQURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S.C7H7N5O/c1-2-18-19(16-6-4-3-5-7-16)23-17(14-24-20(23)22-18)9-8-15-10-12-21-13-11-15;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-7,10-14H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13).

What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole?

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 506.60 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-5-phenyl-3-(2-pyridin-4-ylethynyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 145057211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).