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

C24H26N4O3S — CID 71209593

IUPAC2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)cn1
InChIInChI=1S/C24H26N4O3S/c1-16-13-27-24(15-25-16)28-9-7-18(8-10-28)22-12-19-11-21(26-14-23(19)31-22)17-3-5-20(6-4-17)32(2,29)30/h3-6,11,13-15,18,22H,7-10,12H2,1-2H3
InChIKeyMCHIDBMCDUQFNJ-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.47
Rot. Bonds4

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

2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71209593) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71209593
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)cn1
InChIInChI=1S/C24H26N4O3S/c1-16-13-27-24(15-25-16)28-9-7-18(8-10-28)22-12-19-11-21(26-14-23(19)31-22)17-3-5-20(6-4-17)32(2,29)30/h3-6,11,13-15,18,22H,7-10,12H2,1-2H3
InChIKeyMCHIDBMCDUQFNJ-UHFFFAOYSA-N
XLogP3.47
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (CID 71209593) is 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is Cc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)cn1.
What is the InChIKey of 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is MCHIDBMCDUQFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-16-13-27-24(15-25-16)28-9-7-18(8-10-28)22-12-19-11-21(26-14-23(19)31-22)17-3-5-20(6-4-17)32(2,29)30/h3-6,11,13-15,18,22H,7-10,12H2,1-2H3.
What are the key properties of 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 450.56 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71209593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).