N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H30N8O2S — CID 167138926

About N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138926) has the molecular formula C25H30N8O2S and a molecular weight of 506.64 g/mol. Its IUPAC name is N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 167138926
• Molecular Formula: C25H30N8O2S
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.22
• IUPAC Name: N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: CC1NC=C(C(=O)NCCN2CCC3(CC3)C2)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
• InChI: InChI=1S/C25H30N8O2S/c1-16-19(9-17(10-27-16)22(34)26-6-8-32-7-5-25(14-32)3-4-25)30-23(35)18-11-29-33-13-21(36-24(18)33)20-12-31(2)15-28-20/h9-13,15-16,27H,3-8,14H2,1-2H3,(H,26,34)(H,30,35)
• InChIKey: AFEORCBYPOJYRN-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 108.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138926) is N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(C(=O)NCCN2CCC3(CC3)C2)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12.

What is the InChIKey of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is AFEORCBYPOJYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2S/c1-16-19(9-17(10-27-16)22(34)26-6-8-32-7-5-25(14-32)3-4-25)30-23(35)18-11-29-33-13-21(36-24(18)33)20-12-31(2)15-28-20/h9-13,15-16,27H,3-8,14H2,1-2H3,(H,26,34)(H,30,35).

What are the key properties of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 506.64 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).