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

C27H19N7OS2 — CID 140989766

IUPAC2-[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
SMILESc1ccc(C2(c3ccc[nH]3)C(c3cccs3)=C(c3nccs3)N(c3ccco3)N2c2ncccn2)nc1
InChIInChI=1S/C27H19N7OS2/c1-2-11-28-20(8-1)27(21-9-3-12-29-21)23(19-7-5-17-36-19)24(25-30-15-18-37-25)33(22-10-4-16-35-22)34(27)26-31-13-6-14-32-26/h1-18,29H
InChIKeyHMEYCQMINLJEHF-UHFFFAOYSA-N
MW521.63 g/mol
LogP6.06
Rot. Bonds6

About 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

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 (PubChem CID 140989766) has the molecular formula C27H19N7OS2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID140989766
Molecular FormulaC27H19N7OS2
Molecular Weight521.63 g/mol
Exact Mass521.11
IUPAC Name2-[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
SMILESc1ccc(C2(c3ccc[nH]3)C(c3cccs3)=C(c3nccs3)N(c3ccco3)N2c2ncccn2)nc1
InChIInChI=1S/C27H19N7OS2/c1-2-11-28-20(8-1)27(21-9-3-12-29-21)23(19-7-5-17-36-19)24(25-30-15-18-37-25)33(22-10-4-16-35-22)34(27)26-31-13-6-14-32-26/h1-18,29H
InChIKeyHMEYCQMINLJEHF-UHFFFAOYSA-N
XLogP6.06
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1H-azepine
CID 140991639
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
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
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)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine
CID 141142487
2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
CID 141167977
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccc[nH]3)C(c3cccs3)=C(c3nccs3)N(c3ccco3)N2c2ncccn2)nc1.
What is the InChIKey of 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?
The InChIKey is HMEYCQMINLJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7OS2/c1-2-11-28-20(8-1)27(21-9-3-12-29-21)23(19-7-5-17-36-19)24(25-30-15-18-37-25)33(22-10-4-16-35-22)34(27)26-31-13-6-14-32-26/h1-18,29H.
What are the key properties of 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?
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 has a molecular weight of 521.63 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140989766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).