2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H30N8O2S — CID 164548387

About 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164548387) has the molecular formula C25H30N8O2S and a molecular weight of 506.64 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164548387
• Molecular Formula: C25H30N8O2S
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.22
• IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12
• InChI: InChI=1S/C25H30N8O2S/c1-15-19(12-31(5)30-15)21-13-33-24(36-21)18(11-27-33)23(35)29-20-9-17(10-26-16(20)2)28-22(34)14-32-8-6-7-25(32,3)4/h9-13H,6-8,14H2,1-5H3,(H,28,34)(H,29,35)
• InChIKey: UOFVBNKNBSKQNW-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164548387) is 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12.

What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is UOFVBNKNBSKQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2S/c1-15-19(12-31(5)30-15)21-13-33-24(36-21)18(11-27-33)23(35)29-20-9-17(10-26-16(20)2)28-22(34)14-32-8-6-7-25(32,3)4/h9-13H,6-8,14H2,1-5H3,(H,28,34)(H,29,35).

What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 506.64 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).