N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H26F2N8O2S — CID 164547976

About N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547976) has the molecular formula C24H26F2N8O2S and a molecular weight of 528.59 g/mol. Its IUPAC name is N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547976
• Molecular Formula: C24H26F2N8O2S
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.19
• IUPAC Name: N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
• InChI: InChI=1S/C24H26F2N8O2S/c1-15-19(8-16(9-28-15)21(35)27-5-7-33-6-3-4-24(25,26)14-33)31-22(36)18-11-30-34-13-20(37-23(18)34)17-10-29-32(2)12-17/h8-13H,3-7,14H2,1-2H3,(H,27,35)(H,31,36)
• InChIKey: HUACCSNGJXMCOU-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.59
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547976) is N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.

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

The InChIKey is HUACCSNGJXMCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O2S/c1-15-19(8-16(9-28-15)21(35)27-5-7-33-6-3-4-24(25,26)14-33)31-22(36)18-11-30-34-13-20(37-23(18)34)17-10-29-32(2)12-17/h8-13H,3-7,14H2,1-2H3,(H,27,35)(H,31,36).

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

N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 528.59 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).