4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole

C68H47N25O4S4 — CID 141473079

About 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole

4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole (PubChem CID 141473079) has the molecular formula C68H47N25O4S4 and a molecular weight of 1406.56 g/mol. Its IUPAC name is 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole
• PubChem CID: 141473079
• Molecular Formula: C68H47N25O4S4
• Molecular Weight: 1406.56 g/mol
• Exact Mass: 1405.31
• IUPAC Name: 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole
• SMILES: c1ccc(-c2ccccc2C2(C3(c4conn4)N(c4ccon4)C(c4ccccn4)(c4ncco4)C(c4ccsn4)(c4nnn[nH]4)C(c4c[nH]nn4)(c4nccs4)N3c3csnn3)N(c3ccco3)N(c3cccs3)C(c3ccc[nH]3)=C(c3ncc[nH]3)C2(c2ccccc2)c2cc[nH]n2)cc1
• InChI: InChI=1S/C68H47N25O4S4/c1-3-14-43(15-4-1)45-18-7-8-19-46(45)67(63(48-24-29-75-77-48,44-16-5-2-6-17-44)57(59-71-30-31-72-59)58(47-20-11-28-69-47)90(56-23-13-37-98-56)93(67)55-22-12-34-94-55)68(52-41-97-88-79-52)91(53-25-35-96-83-53)65(61-73-32-36-95-61,50-21-9-10-27-70-50)64(49-26-38-100-84-49,60-81-86-87-82-60)66(51-40-76-85-78-51,62-74-33-39-99-62)92(68)54-42-101-89-80-54/h1-42,69H,(H,71,72)(H,75,77)(H,76,78,85)(H,81,82,86,87)
• InChIKey: BEJHZKRHZGJJIP-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 350.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.56
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole?

The IUPAC name of 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole (CID 141473079) is 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole.

What is the SMILES notation for 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole?

The canonical SMILES for 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole is c1ccc(-c2ccccc2C2(C3(c4conn4)N(c4ccon4)C(c4ccccn4)(c4ncco4)C(c4ccsn4)(c4nnn[nH]4)C(c4c[nH]nn4)(c4nccs4)N3c3csnn3)N(c3ccco3)N(c3cccs3)C(c3ccc[nH]3)=C(c3ncc[nH]3)C2(c2ccccc2)c2cc[nH]n2)cc1.

What is the InChIKey of 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole?

The InChIKey is BEJHZKRHZGJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N25O4S4/c1-3-14-43(15-4-1)45-18-7-8-19-46(45)67(63(48-24-29-75-77-48,44-16-5-2-6-17-44)57(59-71-30-31-72-59)58(47-20-11-28-69-47)90(56-23-13-37-98-56)93(67)55-22-12-34-94-55)68(52-41-97-88-79-52)91(53-25-35-96-83-53)65(61-73-32-36-95-61,50-21-9-10-27-70-50)64(49-26-38-100-84-49,60-81-86-87-82-60)66(51-40-76-85-78-51,62-74-33-39-99-62)92(68)54-42-101-89-80-54/h1-42,69H,(H,71,72)(H,75,77)(H,76,78,85)(H,81,82,86,87).

What are the key properties of 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole?

4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole has a molecular weight of 1406.56 g/mol, XLogP of 11.38, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-phenyl-3-(2-phenylphenyl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole is sourced from PubChem (CID 141473079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).