2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole

C44H26N14O2S2 — CID 141367252

IUPAC2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole
SMILESc1cnnc(N2C(c3c[nH]nn3)=C(c3ncco3)c3c(-c4nccs4)c(-c4ccco4)c(-c4cccs4)c(-c4ncc[nH]4)c3C2(c2ccnnn2)c2ccc3ccccc3n2)c1
InChIInChI=1S/C44H26N14O2S2/c1-2-7-26-25(6-1)11-12-30(52-26)44(31-13-15-50-56-54-31)39-35(38(42-47-18-21-60-42)40(27-24-51-57-53-27)58(44)32-10-3-14-49-55-32)36(43-48-19-23-62-43)33(28-8-4-20-59-28)34(29-9-5-22-61-29)37(39)41-45-16-17-46-41/h1-24H,(H,45,46)(H,51,53,57)
InChIKeySLSXZRQNOWFCCP-UHFFFAOYSA-N
MW846.92 g/mol
LogP8.55
Rot. Bonds9

About 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole

2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole (PubChem CID 141367252) has the molecular formula C44H26N14O2S2 and a molecular weight of 846.92 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole
PubChem CID141367252
Molecular FormulaC44H26N14O2S2
Molecular Weight846.92 g/mol
Exact Mass846.18
IUPAC Name2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole
SMILESc1cnnc(N2C(c3c[nH]nn3)=C(c3ncco3)c3c(-c4nccs4)c(-c4ccco4)c(-c4cccs4)c(-c4ncc[nH]4)c3C2(c2ccnnn2)c2ccc3ccccc3n2)c1
InChIInChI=1S/C44H26N14O2S2/c1-2-7-26-25(6-1)11-12-30(52-26)44(31-13-15-50-56-54-31)39-35(38(42-47-18-21-60-42)40(27-24-51-57-53-27)58(44)32-10-3-14-49-55-32)36(43-48-19-23-62-43)33(28-8-4-20-59-28)34(29-9-5-22-61-29)37(39)41-45-16-17-46-41/h1-24H,(H,45,46)(H,51,53,57)
InChIKeySLSXZRQNOWFCCP-UHFFFAOYSA-N
XLogP8.55
TPSA202.89 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.92
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole;N-(pyridin-4-ylmethyl)-2-[8-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 67992269
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
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
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
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
3-[1-[1-[2-[2-[2-[4-(3-hydroxy-2-pyridinyl)-1H-imidazol-5-yl]thiophen-3-yl]furan-3-yl]-3-pyridinyl]piperazin-2-yl]piperidin-2-yl]-4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]isoquinolin-1-yl]-1H-quinolin-2-one
CID 135984016
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole (CID 141367252) is 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole is c1cnnc(N2C(c3c[nH]nn3)=C(c3ncco3)c3c(-c4nccs4)c(-c4ccco4)c(-c4cccs4)c(-c4ncc[nH]4)c3C2(c2ccnnn2)c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole?
The InChIKey is SLSXZRQNOWFCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N14O2S2/c1-2-7-26-25(6-1)11-12-30(52-26)44(31-13-15-50-56-54-31)39-35(38(42-47-18-21-60-42)40(27-24-51-57-53-27)58(44)32-10-3-14-49-55-32)36(43-48-19-23-62-43)33(28-8-4-20-59-28)34(29-9-5-22-61-29)37(39)41-45-16-17-46-41/h1-24H,(H,45,46)(H,51,53,57).
What are the key properties of 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole?
2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole has a molecular weight of 846.92 g/mol, XLogP of 8.55, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141367252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).