2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole

C61H43N17O3S2 — CID 141454607

IUPAC2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole
SMILESc1ccc(SC2(c3nnn[nH]3)C(c3ncc[nH]3)(c3n[nH]c(-c4ccccc4)c3-c3cccc4ccccc34)N(c3ncco3)C(c3ccon3)(c3ccc[nH]3)C(c3cc4ccccc4[nH]3)(c3nccs3)C2(c2c[nH]nn2)c2ccco2)cc1
InChIInChI=1S/C61H43N17O3S2/c1-3-15-39(16-4-1)51-50(43-22-11-18-38-14-7-9-21-42(38)43)52(71-70-51)60(53-63-28-29-64-53)61(54-72-76-77-73-54,83-41-19-5-2-6-20-41)57(48-37-67-75-69-48,49-25-13-32-79-49)58(55-65-31-35-82-55,47-36-40-17-8-10-23-44(40)68-47)59(45-24-12-27-62-45,46-26-33-81-74-46)78(60)56-66-30-34-80-56/h1-37,62,68H,(H,63,64)(H,70,71)(H,67,69,75)(H,72,73,76,77)
InChIKeyDUWVABNTGZGLJT-UHFFFAOYSA-N
MW1126.27 g/mol
LogP11.45
Rot. Bonds14

About 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole

2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole (PubChem CID 141454607) has the molecular formula C61H43N17O3S2 and a molecular weight of 1126.27 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole
PubChem CID141454607
Molecular FormulaC61H43N17O3S2
Molecular Weight1126.27 g/mol
Exact Mass1125.32
IUPAC Name2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole
SMILESc1ccc(SC2(c3nnn[nH]3)C(c3ncc[nH]3)(c3n[nH]c(-c4ccccc4)c3-c3cccc4ccccc34)N(c3ncco3)C(c3ccon3)(c3ccc[nH]3)C(c3cc4ccccc4[nH]3)(c3nccs3)C2(c2c[nH]nn2)c2ccco2)cc1
InChIInChI=1S/C61H43N17O3S2/c1-3-15-39(16-4-1)51-50(43-22-11-18-38-14-7-9-21-42(38)43)52(71-70-51)60(53-63-28-29-64-53)61(54-72-76-77-73-54,83-41-19-5-2-6-20-41)57(48-37-67-75-69-48,49-25-13-32-79-49)58(55-65-31-35-82-55,47-36-40-17-8-10-23-44(40)68-47)59(45-24-12-27-62-45,46-26-33-81-74-46)78(60)56-66-30-34-80-56/h1-37,62,68H,(H,63,64)(H,70,71)(H,67,69,75)(H,72,73,76,77)
InChIKeyDUWVABNTGZGLJT-UHFFFAOYSA-N
XLogP11.45
TPSA266.30 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001126.27
LogP ≤ 511.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-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
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
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cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
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benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
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CID 161434547
CID 161434547
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
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1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole
CID 162282015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole?
The IUPAC name of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole (CID 141454607) is 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole is c1ccc(SC2(c3nnn[nH]3)C(c3ncc[nH]3)(c3n[nH]c(-c4ccccc4)c3-c3cccc4ccccc34)N(c3ncco3)C(c3ccon3)(c3ccc[nH]3)C(c3cc4ccccc4[nH]3)(c3nccs3)C2(c2c[nH]nn2)c2ccco2)cc1.
What is the InChIKey of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole?
The InChIKey is DUWVABNTGZGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N17O3S2/c1-3-15-39(16-4-1)51-50(43-22-11-18-38-14-7-9-21-42(38)43)52(71-70-51)60(53-63-28-29-64-53)61(54-72-76-77-73-54,83-41-19-5-2-6-20-41)57(48-37-67-75-69-48,49-25-13-32-79-49)58(55-65-31-35-82-55,47-36-40-17-8-10-23-44(40)68-47)59(45-24-12-27-62-45,46-26-33-81-74-46)78(60)56-66-30-34-80-56/h1-37,62,68H,(H,63,64)(H,70,71)(H,67,69,75)(H,72,73,76,77).
What are the key properties of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole?
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole has a molecular weight of 1126.27 g/mol, XLogP of 11.45, 14 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141454607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).