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

C24H26F2N8O2S — CID 175936101

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

3-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 175936101) has the molecular formula C24H26F2N8O2S and a molecular weight of 528.59 g/mol. Its IUPAC name is 3-[5-[2-(4,4-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: 3-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 175936101
• Molecular Formula: C24H26F2N8O2S
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.19
• IUPAC Name: 3-[5-[2-(4,4-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)NCCN2CCC(F)(F)CC2)cc1-c1c(-c2cnn(C)c2)sc2c(C(N)=O)cnn12
• InChI: InChI=1S/C24H26F2N8O2S/c1-14-17(9-15(10-29-14)22(36)28-5-8-33-6-3-24(25,26)4-7-33)19-20(16-11-30-32(2)13-16)37-23-18(21(27)35)12-31-34(19)23/h9-13H,3-8H2,1-2H3,(H2,27,35)(H,28,36)
• InChIKey: RZUCTEJNKHBGRM-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 123.44 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	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4,4-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 3-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175936101) is 3-[5-[2-(4,4-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 3-[5-[2-(4,4-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 3-[5-[2-(4,4-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)NCCN2CCC(F)(F)CC2)cc1-c1c(-c2cnn(C)c2)sc2c(C(N)=O)cnn12.

What is the InChIKey of 3-[5-[2-(4,4-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 RZUCTEJNKHBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O2S/c1-14-17(9-15(10-29-14)22(36)28-5-8-33-6-3-24(25,26)4-7-33)19-20(16-11-30-32(2)13-16)37-23-18(21(27)35)12-31-34(19)23/h9-13H,3-8H2,1-2H3,(H2,27,35)(H,28,36).

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

3-[5-[2-(4,4-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 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-(4,4-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 175936101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).