2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine

C25H28N4O3S — CID 71208702

IUPAC2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCCc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)cn1
InChIInChI=1S/C25H28N4O3S/c1-3-20-14-28-25(16-26-20)29-10-8-18(9-11-29)23-13-19-12-22(27-15-24(19)32-23)17-4-6-21(7-5-17)33(2,30)31/h4-7,12,14-16,18,23H,3,8-11,13H2,1-2H3
InChIKeyVLSOHKQMQKCUDE-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.72
Rot. Bonds5

About 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine

2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71208702) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71208702
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCCc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)cn1
InChIInChI=1S/C25H28N4O3S/c1-3-20-14-28-25(16-26-20)29-10-8-18(9-11-29)23-13-19-12-22(27-15-24(19)32-23)17-4-6-21(7-5-17)33(2,30)31/h4-7,12,14-16,18,23H,3,8-11,13H2,1-2H3
InChIKeyVLSOHKQMQKCUDE-UHFFFAOYSA-N
XLogP3.72
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (CID 71208702) is 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is CCc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)cn1.
What is the InChIKey of 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is VLSOHKQMQKCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-3-20-14-28-25(16-26-20)29-10-8-18(9-11-29)23-13-19-12-22(27-15-24(19)32-23)17-4-6-21(7-5-17)33(2,30)31/h4-7,12,14-16,18,23H,3,8-11,13H2,1-2H3.
What are the key properties of 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 464.59 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71208702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).