N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H26FN7O2S — CID 170635896

About N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170635896) has the molecular formula C25H26FN7O2S and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 170635896
• Molecular Formula: C25H26FN7O2S
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3ccc(F)nc3)sc12
• InChI: InChI=1S/C25H26FN7O2S/c1-15-19(9-17(11-27-15)30-22(34)14-32-8-4-7-25(32,2)3)31-23(35)18-12-29-33-13-20(36-24(18)33)16-5-6-21(26)28-10-16/h5-6,9-13H,4,7-8,14H2,1-3H3,(H,30,34)(H,31,35)
• InChIKey: VTUNOLSJEOTMQT-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170635896) is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3ccc(F)nc3)sc12.

What is the InChIKey of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is VTUNOLSJEOTMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2S/c1-15-19(9-17(11-27-15)30-22(34)14-32-8-4-7-25(32,2)3)31-23(35)18-12-29-33-13-20(36-24(18)33)16-5-6-21(26)28-10-16/h5-6,9-13H,4,7-8,14H2,1-3H3,(H,30,34)(H,31,35).

What are the key properties of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170635896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).