4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine

C25H22N8O2S — CID 141002534

IUPAC4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
SMILESC1=COC(N2N(c3cccs3)N(c3ccc[nH]3)C(c3ccn[nH]3)C2(c2ncc[nH]2)c2ccco2)C=C1
InChIInChI=1S/C25H22N8O2S/c1-2-15-35-21(8-1)32-25(19-6-4-16-34-19,24-27-13-14-28-24)23(18-10-12-29-30-18)31(20-7-3-11-26-20)33(32)22-9-5-17-36-22/h1-17,21,23,26H,(H,27,28)(H,29,30)
InChIKeyGWIJNULXFJBFOQ-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.69
Rot. Bonds6

About 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine

4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine (PubChem CID 141002534) has the molecular formula C25H22N8O2S and a molecular weight of 498.57 g/mol. Its IUPAC name is 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine.

Molecular Properties

Compound Name4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
PubChem CID141002534
Molecular FormulaC25H22N8O2S
Molecular Weight498.57 g/mol
Exact Mass498.16
IUPAC Name4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
SMILESC1=COC(N2N(c3cccs3)N(c3ccc[nH]3)C(c3ccn[nH]3)C2(c2ncc[nH]2)c2ccco2)C=C1
InChIInChI=1S/C25H22N8O2S/c1-2-15-35-21(8-1)32-25(19-6-4-16-34-19,24-27-13-14-28-24)23(18-10-12-29-30-18)31(20-7-3-11-26-20)33(32)22-9-5-17-36-22/h1-17,21,23,26H,(H,27,28)(H,29,30)
InChIKeyGWIJNULXFJBFOQ-UHFFFAOYSA-N
XLogP4.69
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine with MolForge

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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
1-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 76148390
3-[(2S)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 25222709
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
6-(furan-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide;N-thiophen-3-yl-6-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68408141
3-[(2R)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 68853372
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-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
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
5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole
CID 140968854
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

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?
The IUPAC name of 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine (CID 141002534) is 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine.
What is the SMILES notation for 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?
The canonical SMILES for 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine is C1=COC(N2N(c3cccs3)N(c3ccc[nH]3)C(c3ccn[nH]3)C2(c2ncc[nH]2)c2ccco2)C=C1.
What is the InChIKey of 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?
The InChIKey is GWIJNULXFJBFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2S/c1-2-15-35-21(8-1)32-25(19-6-4-16-34-19,24-27-13-14-28-24)23(18-10-12-29-30-18)31(20-7-3-11-26-20)33(32)22-9-5-17-36-22/h1-17,21,23,26H,(H,27,28)(H,29,30).
What are the key properties of 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine has a molecular weight of 498.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine is sourced from PubChem (CID 141002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).