2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide

C24H33N7O3S — CID 3722718

About 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 3722718) has the molecular formula C24H33N7O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3722718
• Molecular Formula: C24H33N7O3S
• Molecular Weight: 499.64 g/mol
• Exact Mass: 499.24
• IUPAC Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCCOCC(C)C)cs4)CC3)c(C)n2n1
• InChI: InChI=1S/C24H33N7O3S/c1-15(2)13-34-11-5-8-25-22(32)19-14-35-23(26-19)18-6-9-30(10-7-18)24(33)21-17(4)31-20(27-28-21)12-16(3)29-31/h12,14-15,18H,5-11,13H2,1-4H3,(H,25,32)
• InChIKey: MVICBPYFXFEBHH-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 114.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.64
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide (CID 3722718) is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCCOCC(C)C)cs4)CC3)c(C)n2n1.

What is the InChIKey of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide?

The InChIKey is MVICBPYFXFEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3S/c1-15(2)13-34-11-5-8-25-22(32)19-14-35-23(26-19)18-6-9-30(10-7-18)24(33)21-17(4)31-20(27-28-21)12-16(3)29-31/h12,14-15,18H,5-11,13H2,1-4H3,(H,25,32).

What are the key properties of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide?

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3722718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).