2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine

C28H21N7O2S — CID 141142487

IUPAC2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine
SMILESC1=COC(C2(c3ncc[nH]3)C(c3ncccn3)=C(c3ccccn3)N(c3ccco3)N2c2cccs2)C=C1
InChIInChI=1S/C28H21N7O2S/c1-3-12-29-20(8-1)25-24(26-30-13-7-14-31-26)28(27-32-15-16-33-27,21-9-2-4-17-36-21)35(23-11-6-19-38-23)34(25)22-10-5-18-37-22/h1-19,21H,(H,32,33)
InChIKeyWPNLSOLMOSTPLA-UHFFFAOYSA-N
MW519.59 g/mol
LogP5.42
Rot. Bonds6

About 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine

2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine (PubChem CID 141142487) has the molecular formula C28H21N7O2S and a molecular weight of 519.59 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine
PubChem CID141142487
Molecular FormulaC28H21N7O2S
Molecular Weight519.59 g/mol
Exact Mass519.15
IUPAC Name2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine
SMILESC1=COC(C2(c3ncc[nH]3)C(c3ncccn3)=C(c3ccccn3)N(c3ccco3)N2c2cccs2)C=C1
InChIInChI=1S/C28H21N7O2S/c1-3-12-29-20(8-1)25-24(26-30-13-7-14-31-26)28(27-32-15-16-33-27,21-9-2-4-17-36-21)35(23-11-6-19-38-23)34(25)22-10-5-18-37-22/h1-19,21H,(H,32,33)
InChIKeyWPNLSOLMOSTPLA-UHFFFAOYSA-N
XLogP5.42
TPSA96.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.59
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine with MolForge

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Related Compounds

N-(4-ethoxy-6-methyl-3-pyridinyl)-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784072
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
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
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
3-(Furan-2-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-4-thiophen-2-yl-1,3-oxazolidine
CID 141008266
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
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
2-[1-cyclohex-2-en-1-ylsulfanyl-3-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 141099672
2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine
CID 141206086
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 141279407
2-[3-(1H-benzimidazol-2-yl)-2-(furan-2-yl)-3-piperazin-1-yl-5-(2H-pyran-2-yl)-1-thiophen-2-ylpyrazol-4-yl]-1,8-naphthyridine
CID 141287356

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine?
The IUPAC name of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine (CID 141142487) is 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine is C1=COC(C2(c3ncc[nH]3)C(c3ncccn3)=C(c3ccccn3)N(c3ccco3)N2c2cccs2)C=C1.
What is the InChIKey of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine?
The InChIKey is WPNLSOLMOSTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7O2S/c1-3-12-29-20(8-1)25-24(26-30-13-7-14-31-26)28(27-32-15-16-33-27,21-9-2-4-17-36-21)35(23-11-6-19-38-23)34(25)22-10-5-18-37-22/h1-19,21H,(H,32,33).
What are the key properties of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine?
2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine has a molecular weight of 519.59 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine is sourced from PubChem (CID 141142487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).