4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine

C21H21FN8S — CID 87695164

IUPAC4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine
SMILESCC1(Sc2cc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)ccn2)N=NN=N1
InChIInChI=1S/C21H21FN8S/c1-21(27-29-30-28-21)31-17-12-15(8-11-24-17)19-18(13-2-4-16(22)5-3-13)25-20(26-19)14-6-9-23-10-7-14/h2-5,8,11-12,14,23H,6-7,9-10H2,1H3,(H,25,26)
InChIKeySZYMFCSMINSQLP-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.34
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine

4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine (PubChem CID 87695164) has the molecular formula C21H21FN8S and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine
PubChem CID87695164
Molecular FormulaC21H21FN8S
Molecular Weight436.52 g/mol
Exact Mass436.16
IUPAC Name4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine
SMILESCC1(Sc2cc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)ccn2)N=NN=N1
InChIInChI=1S/C21H21FN8S/c1-21(27-29-30-28-21)31-17-12-15(8-11-24-17)19-18(13-2-4-16(22)5-3-13)25-20(26-19)14-6-9-23-10-7-14/h2-5,8,11-12,14,23H,6-7,9-10H2,1H3,(H,25,26)
InChIKeySZYMFCSMINSQLP-UHFFFAOYSA-N
XLogP5.34
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine
CID 69102822
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
4-(4,5-diphenyl-1H-imidazol-2-yl)piperidine
CID 177339626
2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine
CID 70280043
N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 15840626
4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
CID 154699548
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
CID 15872410
ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine
CID 142863963
4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 22254794
3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 170765884
4-[2-(4-fluorophenyl)-4-(methylsulfonylmethyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine
CID 155235204
4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
CID 69103133

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine (CID 87695164) is 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine is CC1(Sc2cc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)ccn2)N=NN=N1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine?
The InChIKey is SZYMFCSMINSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8S/c1-21(27-29-30-28-21)31-17-12-15(8-11-24-17)19-18(13-2-4-16(22)5-3-13)25-20(26-19)14-6-9-23-10-7-14/h2-5,8,11-12,14,23H,6-7,9-10H2,1H3,(H,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine?
4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine has a molecular weight of 436.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine is sourced from PubChem (CID 87695164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).