2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide

C23H23N9O3S — CID 3801039

About 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 3801039) has the molecular formula C23H23N9O3S and a molecular weight of 505.56 g/mol. Its IUPAC name is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

• Compound Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
• PubChem CID: 3801039
• Molecular Formula: C23H23N9O3S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.16
• IUPAC Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
• SMILES: Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NNC(=O)c5ccccn5)cs4)CC3)c(C)n2n1
• InChI: InChI=1S/C23H23N9O3S/c1-13-11-18-26-27-19(14(2)32(18)30-13)23(35)31-9-6-15(7-10-31)22-25-17(12-36-22)21(34)29-28-20(33)16-5-3-4-8-24-16/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,28,33)(H,29,34)
• InChIKey: QWGBJKHUEOWUJZ-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 147.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?

The IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 3801039) is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

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

The canonical SMILES for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NNC(=O)c5ccccn5)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'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?

The InChIKey is QWGBJKHUEOWUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O3S/c1-13-11-18-26-27-19(14(2)32(18)30-13)23(35)31-9-6-15(7-10-31)22-25-17(12-36-22)21(34)29-28-20(33)16-5-3-4-8-24-16/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,28,33)(H,29,34).

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

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 505.56 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 10 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'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3801039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).