4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole

C24H18N10OS — CID 141300381

IUPAC4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole
SMILESc1ccc(C2(c3ncn[nH]3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N(c3ccco3)N2c2cccs2)cc1
InChIInChI=1S/C24H18N10OS/c1-2-6-16(7-3-1)24(23-27-15-29-31-23)20(17-14-28-32-30-17)21(22-25-10-11-26-22)33(18-8-4-12-35-18)34(24)19-9-5-13-36-19/h1-15H,(H,25,26)(H,27,29,31)(H,28,30,32)
InChIKeyUUPPABDMRATAHT-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.05
Rot. Bonds6

About 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole

4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole (PubChem CID 141300381) has the molecular formula C24H18N10OS and a molecular weight of 494.54 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole.

Molecular Properties

Compound Name4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole
PubChem CID141300381
Molecular FormulaC24H18N10OS
Molecular Weight494.54 g/mol
Exact Mass494.14
IUPAC Name4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole
SMILESc1ccc(C2(c3ncn[nH]3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N(c3ccco3)N2c2cccs2)cc1
InChIInChI=1S/C24H18N10OS/c1-2-6-16(7-3-1)24(23-27-15-29-31-23)20(17-14-28-32-30-17)21(22-25-10-11-26-22)33(18-8-4-12-35-18)34(24)19-9-5-13-36-19/h1-15H,(H,25,26)(H,27,29,31)(H,28,30,32)
InChIKeyUUPPABDMRATAHT-UHFFFAOYSA-N
XLogP4.05
TPSA131.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
CID 140977850
2-[2-(furan-2-yl)-5-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-3-yl]-1,3-thiazole
CID 140989766
2-[1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(thiolan-2-yl)-5-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 140999701
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141002498
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
CID 141006443
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-ylpyrazol-3-yl]-1,3-thiazole
CID 141013788
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
CID 141031533
1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720
1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
CID 141038820
3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141048956

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole?
The IUPAC name of 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole (CID 141300381) is 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole.
What is the SMILES notation for 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole?
The canonical SMILES for 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole is c1ccc(C2(c3ncn[nH]3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N(c3ccco3)N2c2cccs2)cc1.
What is the InChIKey of 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole?
The InChIKey is UUPPABDMRATAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N10OS/c1-2-6-16(7-3-1)24(23-27-15-29-31-23)20(17-14-28-32-30-17)21(22-25-10-11-26-22)33(18-8-4-12-35-18)34(24)19-9-5-13-36-19/h1-15H,(H,25,26)(H,27,29,31)(H,28,30,32).
What are the key properties of 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole?
4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole has a molecular weight of 494.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-phenyl-2-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)pyrazol-4-yl]-2H-triazole is sourced from PubChem (CID 141300381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).