3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole

C35H24N10OS — CID 141028379

IUPAC3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
SMILESc1ccc(C2C(c3ccn[nH]3)=C(c3ccon3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C2(c2ccc3ccccc3n2)c2cccs2)nc1
InChIInChI=1S/C35H24N10OS/c1-2-7-22-21(6-1)10-11-27(41-22)35(28-9-5-19-47-28)32(25-8-3-4-14-36-25)30(23-12-15-39-42-23)29(24-13-18-46-44-24)31(34-37-16-17-38-34)33(35)26-20-40-45-43-26/h1-20,32H,(H,37,38)(H,39,42)(H,40,43,45)
InChIKeyLNFGMGBUDSBDQT-UHFFFAOYSA-N
MW632.71 g/mol
LogP6.55
Rot. Bonds7

About 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole

3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole (PubChem CID 141028379) has the molecular formula C35H24N10OS and a molecular weight of 632.71 g/mol. Its IUPAC name is 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
PubChem CID141028379
Molecular FormulaC35H24N10OS
Molecular Weight632.71 g/mol
Exact Mass632.19
IUPAC Name3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
SMILESc1ccc(C2C(c3ccn[nH]3)=C(c3ccon3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C2(c2ccc3ccccc3n2)c2cccs2)nc1
InChIInChI=1S/C35H24N10OS/c1-2-7-22-21(6-1)10-11-27(41-22)35(28-9-5-19-47-28)32(25-8-3-4-14-36-25)30(23-12-15-39-42-23)29(24-13-18-46-44-24)31(34-37-16-17-38-34)33(35)26-20-40-45-43-26/h1-20,32H,(H,37,38)(H,39,42)(H,40,43,45)
InChIKeyLNFGMGBUDSBDQT-UHFFFAOYSA-N
XLogP6.55
TPSA150.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.71
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole with MolForge

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Related Compounds

4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136650165
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole
CID 141028368
3-[4-(1,2,3-benzothiadiazol-4-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-3-thiophen-2-ylimidazol-2-yl]-1,2-oxazole
CID 141028377
3-[6-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141064478
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 158340044
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine
CID 158398925
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158452445
5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)
CID 158455588
3-tert-butyl-2H-indazole;2-tert-butyl-1,3,4-thiadiazole;octakis(2,2-dimethylpropane);1H-imidazole;1H-isoindole;1,2-oxazole;pyrimidine;3H-pyrrole;bis(7H-pyrrolo[3,4-d]pyrimidine);1,2-thiazole
CID 158595258
cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 158765670
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 159077103

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole?
The IUPAC name of 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole (CID 141028379) is 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole.
What is the SMILES notation for 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole?
The canonical SMILES for 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole is c1ccc(C2C(c3ccn[nH]3)=C(c3ccon3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C2(c2ccc3ccccc3n2)c2cccs2)nc1.
What is the InChIKey of 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole?
The InChIKey is LNFGMGBUDSBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N10OS/c1-2-7-22-21(6-1)10-11-27(41-22)35(28-9-5-19-47-28)32(25-8-3-4-14-36-25)30(23-12-15-39-42-23)29(24-13-18-46-44-24)31(34-37-16-17-38-34)33(35)26-20-40-45-43-26/h1-20,32H,(H,37,38)(H,39,42)(H,40,43,45).
What are the key properties of 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole?
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole has a molecular weight of 632.71 g/mol, XLogP of 6.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole is sourced from PubChem (CID 141028379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).