N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C23H21F2N7O2S — CID 164547630

About N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547630) has the molecular formula C23H21F2N7O2S and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547630
• Molecular Formula: C23H21F2N7O2S
• Molecular Weight: 497.53 g/mol
• Exact Mass: 497.14
• IUPAC Name: N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12
• InChI: InChI=1S/C23H21F2N7O2S/c1-14-18(8-16(9-28-14)20(33)27-6-7-31-12-23(24,25)13-31)30-21(34)17-10-29-32-11-19(35-22(17)32)15-2-4-26-5-3-15/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,33)(H,30,34)
• InChIKey: VVIYQCQKQFPURH-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.53
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547630) is N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.

What is the InChIKey of N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is VVIYQCQKQFPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2S/c1-14-18(8-16(9-28-14)20(33)27-6-7-31-12-23(24,25)13-31)30-21(34)17-10-29-32-11-19(35-22(17)32)15-2-4-26-5-3-15/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,33)(H,30,34).

What are the key properties of N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).