2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole

C26H22N6O2S — CID 141294282

IUPAC2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole
SMILESc1c[nH]c(C2(c3ncc[nH]3)COC(c3ccc[nH]3)(c3cccs3)C2(c2ccn[nH]2)c2ccco2)c1
InChIInChI=1S/C26H22N6O2S/c1-5-18(27-10-1)24(23-29-13-14-30-23)17-34-26(20-6-2-11-28-20,22-8-4-16-35-22)25(24,19-9-12-31-32-19)21-7-3-15-33-21/h1-16,27-28H,17H2,(H,29,30)(H,31,32)
InChIKeyRNPKTUQMNXAZOC-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.69
Rot. Bonds6

About 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole

2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole (PubChem CID 141294282) has the molecular formula C26H22N6O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole
PubChem CID141294282
Molecular FormulaC26H22N6O2S
Molecular Weight482.57 g/mol
Exact Mass482.15
IUPAC Name2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole
SMILESc1c[nH]c(C2(c3ncc[nH]3)COC(c3ccc[nH]3)(c3cccs3)C2(c2ccn[nH]2)c2ccco2)c1
InChIInChI=1S/C26H22N6O2S/c1-5-18(27-10-1)24(23-29-13-14-30-23)17-34-26(20-6-2-11-28-20,22-8-4-16-35-22)25(24,19-9-12-31-32-19)21-7-3-15-33-21/h1-16,27-28H,17H2,(H,29,30)(H,31,32)
InChIKeyRNPKTUQMNXAZOC-UHFFFAOYSA-N
XLogP4.69
TPSA111.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 76148365
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole
CID 140973854
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140977163
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)-1,2-oxazolidine
CID 140978232
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
CID 140987548
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
CID 140989081
5-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140993070
2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 140993860
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-yl-1,3-oxazolidine
CID 140996887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole?
The IUPAC name of 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole (CID 141294282) is 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole.
What is the SMILES notation for 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole?
The canonical SMILES for 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole is c1c[nH]c(C2(c3ncc[nH]3)COC(c3ccc[nH]3)(c3cccs3)C2(c2ccn[nH]2)c2ccco2)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole?
The InChIKey is RNPKTUQMNXAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2S/c1-5-18(27-10-1)24(23-29-13-14-30-23)17-34-26(20-6-2-11-28-20,22-8-4-16-35-22)25(24,19-9-12-31-32-19)21-7-3-15-33-21/h1-16,27-28H,17H2,(H,29,30)(H,31,32).
What are the key properties of 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole?
2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole has a molecular weight of 482.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-4-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-thiophen-2-yloxolan-3-yl]-1H-imidazole is sourced from PubChem (CID 141294282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).