2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine

C23H26F2N2O3S — CID 71736722

IUPAC2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine
SMILESCC(C)(F)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C23H26F2N2O3S/c1-23(2,25)14-27-8-6-15(7-9-27)21-11-16-10-20(26-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15H,6-9,14H2,1-3H3
InChIKeyPLINLVDNVSXGNS-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.96
Rot. Bonds5

About 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine

2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine (PubChem CID 71736722) has the molecular formula C23H26F2N2O3S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine
PubChem CID71736722
Molecular FormulaC23H26F2N2O3S
Molecular Weight448.54 g/mol
Exact Mass448.16
IUPAC Name2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine
SMILESCC(C)(F)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C23H26F2N2O3S/c1-23(2,25)14-27-8-6-15(7-9-27)21-11-16-10-20(26-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15H,6-9,14H2,1-3H3
InChIKeyPLINLVDNVSXGNS-UHFFFAOYSA-N
XLogP4.96
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
The IUPAC name of 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine (CID 71736722) is 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
The canonical SMILES for 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine is CC(C)(F)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1.
What is the InChIKey of 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
The InChIKey is PLINLVDNVSXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3S/c1-23(2,25)14-27-8-6-15(7-9-27)21-11-16-10-20(26-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15H,6-9,14H2,1-3H3.
What are the key properties of 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine has a molecular weight of 448.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine is sourced from PubChem (CID 71736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).