4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole

C23H17N17S2 — CID 141347783

About 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole

4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole (PubChem CID 141347783) has the molecular formula C23H17N17S2 and a molecular weight of 595.64 g/mol. Its IUPAC name is 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole.

Molecular Properties

• Compound Name: 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole
• PubChem CID: 141347783
• Molecular Formula: C23H17N17S2
• Molecular Weight: 595.64 g/mol
• Exact Mass: 595.13
• IUPAC Name: 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole
• SMILES: c1ccc(C2(c3nccs3)C(c3nn[nH]n3)N(c3csnn3)N(c3ccn[nH]3)C2(c2cnccn2)c2cn[nH]n2)nc1
• InChI: InChI=1S/C23H17N17S2/c1-2-5-25-14(3-1)22(21-27-9-10-41-21)19(20-33-36-37-34-20)39(18-13-42-38-32-18)40(17-4-6-28-31-17)23(22,16-12-29-35-30-16)15-11-24-7-8-26-15/h1-13,19H,(H,28,31)(H,29,30,35)(H,33,34,36,37)
• InChIKey: UZPXJTFFPUHRPL-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 208.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.64
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole?

The IUPAC name of 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole (CID 141347783) is 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole.

What is the SMILES notation for 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole?

The canonical SMILES for 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole is c1ccc(C2(c3nccs3)C(c3nn[nH]n3)N(c3csnn3)N(c3ccn[nH]3)C2(c2cnccn2)c2cn[nH]n2)nc1.

What is the InChIKey of 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole?

The InChIKey is UZPXJTFFPUHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N17S2/c1-2-5-25-14(3-1)22(21-27-9-10-41-21)19(20-33-36-37-34-20)39(18-13-42-38-32-18)40(17-4-6-28-31-17)23(22,16-12-29-35-30-16)15-11-24-7-8-26-15/h1-13,19H,(H,28,31)(H,29,30,35)(H,33,34,36,37).

What are the key properties of 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole?

4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole has a molecular weight of 595.64 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)pyrazolidin-1-yl]thiadiazole is sourced from PubChem (CID 141347783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).