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

C25H27N7O4S — CID 164547091

About N-[5-[[2-(3-methoxy-3-methylazetidin-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-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547091) has the molecular formula C25H27N7O4S and a molecular weight of 521.60 g/mol. Its IUPAC name is N-[5-[[2-(3-methoxy-3-methylazetidin-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-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547091
• Molecular Formula: C25H27N7O4S
• Molecular Weight: 521.60 g/mol
• Exact Mass: 521.18
• IUPAC Name: N-[5-[[2-(3-methoxy-3-methylazetidin-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(C)(OC)C4)cnc3C)c2s1
• InChI: InChI=1S/C25H27N7O4S/c1-15-19(8-16(9-27-15)29-21(33)12-31-13-25(2,14-31)36-4)30-22(34)18-10-28-32-11-20(37-24(18)32)17-6-5-7-26-23(17)35-3/h5-11H,12-14H2,1-4H3,(H,29,33)(H,30,34)
• InChIKey: VPPZFGFRGRNZED-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 122.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.60
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3-methoxy-3-methylazetidin-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-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547091) is N-[5-[[2-(3-methoxy-3-methylazetidin-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-methoxy-3-methylazetidin-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-methoxy-3-methylazetidin-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(C)(OC)C4)cnc3C)c2s1.

What is the InChIKey of N-[5-[[2-(3-methoxy-3-methylazetidin-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 VPPZFGFRGRNZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4S/c1-15-19(8-16(9-27-15)29-21(33)12-31-13-25(2,14-31)36-4)30-22(34)18-10-28-32-11-20(37-24(18)32)17-6-5-7-26-23(17)35-3/h5-11H,12-14H2,1-4H3,(H,29,33)(H,30,34).

What are the key properties of N-[5-[[2-(3-methoxy-3-methylazetidin-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-methoxy-3-methylazetidin-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 521.60 g/mol, XLogP of 3.08, 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-methoxy-3-methylazetidin-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 164547091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).