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

C23H24F2N8O2S — CID 164547216

About N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547216) has the molecular formula C23H24F2N8O2S and a molecular weight of 514.56 g/mol. Its IUPAC name is N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547216
• Molecular Formula: C23H24F2N8O2S
• Molecular Weight: 514.56 g/mol
• Exact Mass: 514.17
• IUPAC Name: N-[5-[2-(3,3-difluoropyrrolidin-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)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
• InChI: InChI=1S/C23H24F2N8O2S/c1-14-18(7-15(8-27-14)20(34)26-4-6-32-5-3-23(24,25)13-32)30-21(35)17-10-29-33-12-19(36-22(17)33)16-9-28-31(2)11-16/h7-12H,3-6,13H2,1-2H3,(H,26,34)(H,30,35)
• InChIKey: WJMBOIMRZWIXBW-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.56
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547216) is N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-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-difluoropyrrolidin-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)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.

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

The InChIKey is WJMBOIMRZWIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2S/c1-14-18(7-15(8-27-14)20(34)26-4-6-32-5-3-23(24,25)13-32)30-21(35)17-10-29-33-12-19(36-22(17)33)16-9-28-31(2)11-16/h7-12H,3-6,13H2,1-2H3,(H,26,34)(H,30,35).

What are the key properties of N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-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 514.56 g/mol, XLogP of 2.82, 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-difluoropyrrolidin-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 164547216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).