3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine

C22H21FN6S — CID 166766311

IUPAC3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
SMILESCSN1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H21FN6S/c1-30-28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-9,14-15H,10-13H2,1H3
InChIKeyVNCBMZFRWDXHHV-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.02
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine

3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine (PubChem CID 166766311) has the molecular formula C22H21FN6S and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
PubChem CID166766311
Molecular FormulaC22H21FN6S
Molecular Weight420.52 g/mol
Exact Mass420.15
IUPAC Name3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
SMILESCSN1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H21FN6S/c1-30-28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-9,14-15H,10-13H2,1H3
InChIKeyVNCBMZFRWDXHHV-UHFFFAOYSA-N
XLogP4.02
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
CID 86267348
4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-2-pyridinyl]morpholine
CID 86268999
3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine
CID 118962434
5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-(methylideneamino)aniline
CID 145044232
1-cyclopropyl-4-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-one
CID 90421691
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
CID 86270191
4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
CID 178174168
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
CID 86268997

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine (CID 166766311) is 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine is CSN1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The InChIKey is VNCBMZFRWDXHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6S/c1-30-28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine has a molecular weight of 420.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 166766311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).