N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H27N7O4S — CID 174222227

About N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 174222227) has the molecular formula C25H27N7O4S and a molecular weight of 521.60 g/mol. Its IUPAC name is N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 174222227
• Molecular Formula: C25H27N7O4S
• Molecular Weight: 521.60 g/mol
• Exact Mass: 521.18
• IUPAC Name: N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CC(C)OC(C)C2)cc1NC(=O)c1cnn2cc(-c3ccc[nH]c3=O)sc12
• InChI: InChI=1S/C25H27N7O4S/c1-14-10-31(11-15(2)36-14)13-22(33)29-17-7-20(16(3)27-8-17)30-24(35)19-9-28-32-12-21(37-25(19)32)18-5-4-6-26-23(18)34/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,26,34)(H,29,33)(H,30,35)
• InChIKey: GEXMSWHQNDVGMW-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 133.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.60
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 174222227) is N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CC(C)OC(C)C2)cc1NC(=O)c1cnn2cc(-c3ccc[nH]c3=O)sc12.

What is the InChIKey of N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is GEXMSWHQNDVGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4S/c1-14-10-31(11-15(2)36-14)13-22(33)29-17-7-20(16(3)27-8-17)30-24(35)19-9-28-32-12-21(37-25(19)32)18-5-4-6-26-23(18)34/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,26,34)(H,29,33)(H,30,35).

What are the key properties of N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 521.60 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 174222227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).