4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole

C29H23N13O2 — CID 141036281

About 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole

4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole (PubChem CID 141036281) has the molecular formula C29H23N13O2 and a molecular weight of 585.59 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole
• PubChem CID: 141036281
• Molecular Formula: C29H23N13O2
• Molecular Weight: 585.59 g/mol
• Exact Mass: 585.21
• IUPAC Name: 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole
• SMILES: c1c[nH]c(N2N(c3ccco3)N(c3n[nH]c4ccccc34)C(c3conn3)(c3ccn[nH]3)C2(c2ccc[nH]2)c2ncc[nH]2)c1
• InChI: InChI=1S/C29H23N13O2/c1-2-7-20-19(6-1)26(38-35-20)41-28(22-11-14-34-36-22,23-18-44-39-37-23)29(21-8-3-12-30-21,27-32-15-16-33-27)40(24-9-4-13-31-24)42(41)25-10-5-17-43-25/h1-18,30-31H,(H,32,33)(H,34,36)(H,35,38)
• InChIKey: XXIQIHWIHZBOKQ-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 179.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.59
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole?

The IUPAC name of 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole (CID 141036281) is 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole.

What is the SMILES notation for 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole?

The canonical SMILES for 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole is c1c[nH]c(N2N(c3ccco3)N(c3n[nH]c4ccccc34)C(c3conn3)(c3ccn[nH]3)C2(c2ccc[nH]2)c2ncc[nH]2)c1.

What is the InChIKey of 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole?

The InChIKey is XXIQIHWIHZBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N13O2/c1-2-7-20-19(6-1)26(38-35-20)41-28(22-11-14-34-36-22,23-18-44-39-37-23)29(21-8-3-12-30-21,27-32-15-16-33-27)40(24-9-4-13-31-24)42(41)25-10-5-17-43-25/h1-18,30-31H,(H,32,33)(H,34,36)(H,35,38).

What are the key properties of 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole?

4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole has a molecular weight of 585.59 g/mol, XLogP of 4.19, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole is sourced from PubChem (CID 141036281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).