N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C28H32FN7O3S — CID 170635959

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170635959) has the molecular formula C28H32FN7O3S and a molecular weight of 565.68 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 170635959
• Molecular Formula: C28H32FN7O3S
• Molecular Weight: 565.68 g/mol
• Exact Mass: 565.23
• IUPAC Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccc(OCCF)n3)sc12
• InChI: InChI=1S/C28H32FN7O3S/c1-18-22(14-19(15-31-18)25(37)30-10-12-35-11-5-8-28(35,2)3)34-26(38)20-16-32-36-17-23(40-27(20)36)21-6-4-7-24(33-21)39-13-9-29/h4,6-7,14-17H,5,8-13H2,1-3H3,(H,30,37)(H,34,38)
• InChIKey: MZLHDYWBZXSIDU-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170635959) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccc(OCCF)n3)sc12.

What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is MZLHDYWBZXSIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O3S/c1-18-22(14-19(15-31-18)25(37)30-10-12-35-11-5-8-28(35,2)3)34-26(38)20-16-32-36-17-23(40-27(20)36)21-6-4-7-24(33-21)39-13-9-29/h4,6-7,14-17H,5,8-13H2,1-3H3,(H,30,37)(H,34,38).

What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 565.68 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170635959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).