2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate

C76H55F4N23O4S — CID 160643908

IUPAC2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate
SMILESCC(=O)Nc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cc1.COC(=O)c1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.COc1ncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1.CSc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H15FN6O.C20H14FN5O2.C19H14FN5S.C17H12FN7O/c1-13(28)23-17-7-5-14(6-8-17)15-10-16(21)12-18(11-15)27-25-20(24-26-27)19-4-2-3-9-22-19;1-28-20(27)17-7-3-2-6-16(17)13-10-14(21)12-15(11-13)26-24-19(23-25-26)18-8-4-5-9-22-18;1-26-18-8-3-2-6-16(18)13-10-14(20)12-15(11-13)25-23-19(22-24-25)17-7-4-5-9-21-17;1-26-17-20-9-12(10-21-17)11-6-13(18)8-14(7-11)25-23-16(22-24-25)15-4-2-3-5-19-15/h2-12H,1H3,(H,23,28);2-12H,1H3;2-12H,1H3;2-10H,1H3
InChIKeyRJNMZLLKOFMNPH-UHFFFAOYSA-N
MW1462.49 g/mol
LogP13.39
Rot. Bonds16

About 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate

2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate (PubChem CID 160643908) has the molecular formula C76H55F4N23O4S and a molecular weight of 1462.49 g/mol. Its IUPAC name is 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate.

Molecular Properties

Compound Name2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate
PubChem CID160643908
Molecular FormulaC76H55F4N23O4S
Molecular Weight1462.49 g/mol
Exact Mass1461.45
IUPAC Name2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate
SMILESCC(=O)Nc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cc1.COC(=O)c1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.COc1ncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1.CSc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H15FN6O.C20H14FN5O2.C19H14FN5S.C17H12FN7O/c1-13(28)23-17-7-5-14(6-8-17)15-10-16(21)12-18(11-15)27-25-20(24-26-27)19-4-2-3-9-22-19;1-28-20(27)17-7-3-2-6-16(17)13-10-14(21)12-15(11-13)26-24-19(23-25-26)18-8-4-5-9-22-18;1-26-18-8-3-2-6-16(18)13-10-14(20)12-15(11-13)25-23-19(22-24-25)17-7-4-5-9-21-17;1-26-17-20-9-12(10-21-17)11-6-13(18)8-14(7-11)25-23-16(22-24-25)15-4-2-3-5-19-15/h2-12H,1H3,(H,23,28);2-12H,1H3;2-12H,1H3;2-10H,1H3
InChIKeyRJNMZLLKOFMNPH-UHFFFAOYSA-N
XLogP13.39
TPSA316.37 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.49
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate with MolForge

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Related Compounds

2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde
CID 158825874
1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
CID 58929263
[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate
CID 58929322
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 12789660
2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
CID 58929286
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
CID 46695631
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 101177387
methyl 2-[5-[[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]-5-methoxybenzoate
CID 70326218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate?
The IUPAC name of 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate (CID 160643908) is 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate.
What is the SMILES notation for 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate?
The canonical SMILES for 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate is CC(=O)Nc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cc1.COC(=O)c1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.COc1ncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1.CSc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate?
The InChIKey is RJNMZLLKOFMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O.C20H14FN5O2.C19H14FN5S.C17H12FN7O/c1-13(28)23-17-7-5-14(6-8-17)15-10-16(21)12-18(11-15)27-25-20(24-26-27)19-4-2-3-9-22-19;1-28-20(27)17-7-3-2-6-16(17)13-10-14(21)12-15(11-13)26-24-19(23-25-26)18-8-4-5-9-22-18;1-26-18-8-3-2-6-16(18)13-10-14(20)12-15(11-13)25-23-19(22-24-25)17-7-4-5-9-21-17;1-26-17-20-9-12(10-21-17)11-6-13(18)8-14(7-11)25-23-16(22-24-25)15-4-2-3-5-19-15/h2-12H,1H3,(H,23,28);2-12H,1H3;2-12H,1H3;2-10H,1H3.
What are the key properties of 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate?
2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate has a molecular weight of 1462.49 g/mol, XLogP of 13.39, 16 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate is sourced from PubChem (CID 160643908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).