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

C22H24N10O3S — CID 3833421

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

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 3833421) has the molecular formula C22H24N10O3S and a molecular weight of 508.57 g/mol. Its IUPAC name is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(5-methyl-1H-pyrazole-3-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'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide
• PubChem CID: 3833421
• Molecular Formula: C22H24N10O3S
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.18
• IUPAC Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide
• SMILES: Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NNC(=O)c5cc(C)[nH]n5)cs4)CC3)c(C)n2n1
• InChI: InChI=1S/C22H24N10O3S/c1-11-8-15(25-24-11)19(33)28-29-20(34)16-10-36-21(23-16)14-4-6-31(7-5-14)22(35)18-13(3)32-17(26-27-18)9-12(2)30-32/h8-10,14H,4-7H2,1-3H3,(H,24,25)(H,28,33)(H,29,34)
• InChIKey: OZQKTXCYURCQTJ-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 163.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
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'-(5-methyl-1H-pyrazole-3-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'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 3833421) is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(5-methyl-1H-pyrazole-3-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'-(5-methyl-1H-pyrazole-3-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'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NNC(=O)c5cc(C)[nH]n5)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'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide?

The InChIKey is OZQKTXCYURCQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O3S/c1-11-8-15(25-24-11)19(33)28-29-20(34)16-10-36-21(23-16)14-4-6-31(7-5-14)22(35)18-13(3)32-17(26-27-18)9-12(2)30-32/h8-10,14H,4-7H2,1-3H3,(H,24,25)(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'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide?

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 508.57 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 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'-(5-methyl-1H-pyrazole-3-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3833421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).