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

C21H22N10O3S2 — CID 3760648

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

N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide (PubChem CID 3760648) has the molecular formula C21H22N10O3S2 and a molecular weight of 526.61 g/mol. Its IUPAC name is N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide
• PubChem CID: 3760648
• Molecular Formula: C21H22N10O3S2
• Molecular Weight: 526.61 g/mol
• Exact Mass: 526.13
• IUPAC Name: N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide
• SMILES: Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NNC(=O)c5snnc5C)cs4)CC3)c(C)n2n1
• InChI: InChI=1S/C21H22N10O3S2/c1-10-8-15-24-25-16(12(3)31(15)28-10)21(34)30-6-4-13(5-7-30)20-22-14(9-35-20)18(32)26-27-19(33)17-11(2)23-29-36-17/h8-9,13H,4-7H2,1-3H3,(H,26,32)(H,27,33)
• InChIKey: XEGZMUNWHLYELP-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 160.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide (CID 3760648) is N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide.

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

The canonical SMILES for N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NNC(=O)c5snnc5C)cs4)CC3)c(C)n2n1.

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

The InChIKey is XEGZMUNWHLYELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N10O3S2/c1-10-8-15-24-25-16(12(3)31(15)28-10)21(34)30-6-4-13(5-7-30)20-22-14(9-35-20)18(32)26-27-19(33)17-11(2)23-29-36-17/h8-9,13H,4-7H2,1-3H3,(H,26,32)(H,27,33).

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

N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 526.61 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 3760648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).