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 hydrogen

C23H25F2N7O2S — CID 164547748

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;molecular hydrogen

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 hydrogen (PubChem CID 164547748) has the molecular formula C23H25F2N7O2S and a molecular weight of 501.56 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 hydrogen.

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;molecular hydrogen
• PubChem CID: 164547748
• Molecular Formula: C23H25F2N7O2S
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.18
• 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;molecular hydrogen
• SMILES: Cc1ncc(C(=O)NCCN2CC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.[H][H].[H][H]
• InChI: InChI=1S/C23H21F2N7O2S.2H2/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);2*1H
• InChIKey: PVGFLQRHTMBKBG-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	3.59
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;molecular hydrogen?

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;molecular hydrogen (CID 164547748) 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 hydrogen.

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;molecular hydrogen?

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;molecular hydrogen is Cc1ncc(C(=O)NCCN2CC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.[H][H].[H][H].

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;molecular hydrogen?

The InChIKey is PVGFLQRHTMBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2S.2H2/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);2*1H.

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;molecular hydrogen?

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 hydrogen has a molecular weight of 501.56 g/mol, XLogP of 3.59, 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;molecular hydrogen is sourced from PubChem (CID 164547748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).