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

C22H21FN6O2S — CID 86267968

IUPAC3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H21FN6O2S/c1-32(30,31)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
InChIKeyWKQGQXQKLGFDBG-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.70
Rot. Bonds4

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

3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine (PubChem CID 86267968) has the molecular formula C22H21FN6O2S and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
PubChem CID86267968
Molecular FormulaC22H21FN6O2S
Molecular Weight452.52 g/mol
Exact Mass452.14
IUPAC Name3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H21FN6O2S/c1-32(30,31)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
InChIKeyWKQGQXQKLGFDBG-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine (CID 86267968) is 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine is CS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The InChIKey is WKQGQXQKLGFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2S/c1-32(30,31)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-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine has a molecular weight of 452.52 g/mol, XLogP of 2.70, 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-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 86267968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).