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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

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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