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

C24H25N7O4S — CID 164547107

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

N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547107) has the molecular formula C24H25N7O4S and a molecular weight of 507.58 g/mol. Its IUPAC name is N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547107
• Molecular Formula: C24H25N7O4S
• Molecular Weight: 507.58 g/mol
• Exact Mass: 507.17
• IUPAC Name: N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(OC)C4)cnc3C)c2s1
• InChI: InChI=1S/C24H25N7O4S/c1-14-19(7-15(8-26-14)28-21(32)13-30-10-16(11-30)34-2)29-22(33)18-9-27-31-12-20(36-24(18)31)17-5-4-6-25-23(17)35-3/h4-9,12,16H,10-11,13H2,1-3H3,(H,28,32)(H,29,33)
• InChIKey: KAHSMZLYONGRBT-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 122.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.58
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547107) is N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(OC)C4)cnc3C)c2s1.

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

The InChIKey is KAHSMZLYONGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4S/c1-14-19(7-15(8-26-14)28-21(32)13-30-10-16(11-30)34-2)29-22(33)18-9-27-31-12-20(36-24(18)31)17-5-4-6-25-23(17)35-3/h4-9,12,16H,10-11,13H2,1-3H3,(H,28,32)(H,29,33).

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

N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 507.58 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(3-methoxyazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).