2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole

C36H27N9O2S — CID 176550621

IUPAC2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ccc[nH]3)C(c3ncco3)C(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3cccs3)C2(c2cccnc2)c2ccco2)nc1
InChIInChI=1S/C36H27N9O2S/c1-2-14-38-26(8-1)35(27-9-4-15-39-27)31(34-42-19-21-47-34)30(25-12-16-43-44-25)32(33-40-17-18-41-33)45(29-11-6-22-48-29)36(35,28-10-5-20-46-28)24-7-3-13-37-23-24/h1-23,31,39H,(H,40,41)(H,43,44)
InChIKeyCBHKOPLKHLLZIQ-UHFFFAOYSA-N
MW649.74 g/mol
LogP7.00
Rot. Bonds8

About 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole

2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole (PubChem CID 176550621) has the molecular formula C36H27N9O2S and a molecular weight of 649.74 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole
PubChem CID176550621
Molecular FormulaC36H27N9O2S
Molecular Weight649.74 g/mol
Exact Mass649.20
IUPAC Name2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ccc[nH]3)C(c3ncco3)C(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3cccs3)C2(c2cccnc2)c2ccco2)nc1
InChIInChI=1S/C36H27N9O2S/c1-2-14-38-26(8-1)35(27-9-4-15-39-27)31(34-42-19-21-47-34)30(25-12-16-43-44-25)32(33-40-17-18-41-33)45(29-11-6-22-48-29)36(35,28-10-5-20-46-28)24-7-3-13-37-23-24/h1-23,31,39H,(H,40,41)(H,43,44)
InChIKeyCBHKOPLKHLLZIQ-UHFFFAOYSA-N
XLogP7.00
TPSA141.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.74
LogP ≤ 57.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
CID 54550762
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
2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole
CID 90712692
4-[1-[5-[4-[5-[2-[3-[4-(oxadiazol-4-yl)-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1H-pyrrol-3-yl]tetrazol-1-yl]thiadiazol-5-yl]-1H-triazol-4-yl]pyrrolidin-2-yl]-3-[3-[2-[4-[3-[2-[4-[3-[2-[[4-[4-[4-(1,2-thiazol-3-yl)-1,2-oxazol-3-yl]-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]furan-2-yl]pyridazin-3-yl]piperazin-1-yl]pyrazin-2-yl]pyrimidin-2-yl]piperidin-1-yl]-2-pyridinyl]morpholine
CID 91803295
4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
CID 123454194
5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
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-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
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-[6-[1-(2,3-dihydropyrrol-1-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-1-(1H-pyrrol-2-yl)-4-(1H-tetrazol-5-yl)-4-(1H-triazol-4-yl)-1,3-thiazolidin-2-yl]-5-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)-5-imidazolidin-1-yl-4-pyrrolidin-1-yl-6-(thiadiazol-4-yl)-1-(thiatriazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidin-2-yl]oxadiazole
CID 139628757
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole (CID 176550621) is 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole is c1ccc(C2(c3ccc[nH]3)C(c3ncco3)C(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3cccs3)C2(c2cccnc2)c2ccco2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole?
The InChIKey is CBHKOPLKHLLZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N9O2S/c1-2-14-38-26(8-1)35(27-9-4-15-39-27)31(34-42-19-21-47-34)30(25-12-16-43-44-25)32(33-40-17-18-41-33)45(29-11-6-22-48-29)36(35,28-10-5-20-46-28)24-7-3-13-37-23-24/h1-23,31,39H,(H,40,41)(H,43,44).
What are the key properties of 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole?
2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole has a molecular weight of 649.74 g/mol, XLogP of 7.00, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-4H-pyridin-4-yl]-1,3-oxazole is sourced from PubChem (CID 176550621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).