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

C25H25FN4O3S — CID 71736720

IUPAC2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine
SMILESCCc1cnc(N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)nc1
InChIInChI=1S/C25H25FN4O3S/c1-3-16-13-28-25(29-14-16)30-8-6-17(7-9-30)23-11-18-10-22(27-15-24(18)33-23)20-5-4-19(12-21(20)26)34(2,31)32/h4-5,10-15,17H,3,6-9H2,1-2H3
InChIKeyHYKXKTJKJVPBLP-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.77
Rot. Bonds5

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

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine (PubChem CID 71736720) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine
PubChem CID71736720
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine
SMILESCCc1cnc(N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)nc1
InChIInChI=1S/C25H25FN4O3S/c1-3-16-13-28-25(29-14-16)30-8-6-17(7-9-30)23-11-18-10-22(27-15-24(18)33-23)20-5-4-19(12-21(20)26)34(2,31)32/h4-5,10-15,17H,3,6-9H2,1-2H3
InChIKeyHYKXKTJKJVPBLP-UHFFFAOYSA-N
XLogP4.77
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine (CID 71736720) is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine is CCc1cnc(N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
The InChIKey is HYKXKTJKJVPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-3-16-13-28-25(29-14-16)30-8-6-17(7-9-30)23-11-18-10-22(27-15-24(18)33-23)20-5-4-19(12-21(20)26)34(2,31)32/h4-5,10-15,17H,3,6-9H2,1-2H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine?
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine has a molecular weight of 480.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridine is sourced from PubChem (CID 71736720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).