1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole

C25H24FN3O3S — CID 67616148

IUPAC1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole
SMILESCS(=O)(=O)c1ccc2c(ccn2-c2ccc(OC3CCN(c4ccc(F)cc4)CC3)cn2)c1
InChIInChI=1S/C25H24FN3O3S/c1-33(30,31)23-7-8-24-18(16-23)10-15-29(24)25-9-6-22(17-27-25)32-21-11-13-28(14-12-21)20-4-2-19(26)3-5-20/h2-10,15-17,21H,11-14H2,1H3
InChIKeyPCVSBOSUZLWECH-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.62
Rot. Bonds5

About 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole

1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole (PubChem CID 67616148) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole.

Molecular Properties

Compound Name1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole
PubChem CID67616148
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole
SMILESCS(=O)(=O)c1ccc2c(ccn2-c2ccc(OC3CCN(c4ccc(F)cc4)CC3)cn2)c1
InChIInChI=1S/C25H24FN3O3S/c1-33(30,31)23-7-8-24-18(16-23)10-15-29(24)25-9-6-22(17-27-25)32-21-11-13-28(14-12-21)20-4-2-19(26)3-5-20/h2-10,15-17,21H,11-14H2,1H3
InChIKeyPCVSBOSUZLWECH-UHFFFAOYSA-N
XLogP4.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole?
The IUPAC name of 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole (CID 67616148) is 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole.
What is the SMILES notation for 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole?
The canonical SMILES for 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole is CS(=O)(=O)c1ccc2c(ccn2-c2ccc(OC3CCN(c4ccc(F)cc4)CC3)cn2)c1.
What is the InChIKey of 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole?
The InChIKey is PCVSBOSUZLWECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-33(30,31)23-7-8-24-18(16-23)10-15-29(24)25-9-6-22(17-27-25)32-21-11-13-28(14-12-21)20-4-2-19(26)3-5-20/h2-10,15-17,21H,11-14H2,1H3.
What are the key properties of 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole?
1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole has a molecular weight of 465.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-fluorophenyl)piperidin-4-yl]oxy-2-pyridinyl]-5-methylsulfonylindole is sourced from PubChem (CID 67616148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).