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

C24H33N5O3S — CID 71455832

IUPAC2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCCc1cnc(N2CCC(C3Cc4cc(C5CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1
InChIInChI=1S/C24H33N5O3S/c1-3-17-14-26-24(27-15-17)28-8-4-19(5-9-28)22-13-20-12-21(25-16-23(20)32-22)18-6-10-29(11-7-18)33(2,30)31/h12,14-16,18-19,22H,3-11,13H2,1-2H3
InChIKeyACOOCLBBJBYZLG-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.79
Rot. Bonds5

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

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71455832) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71455832
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCCc1cnc(N2CCC(C3Cc4cc(C5CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1
InChIInChI=1S/C24H33N5O3S/c1-3-17-14-26-24(27-15-17)28-8-4-19(5-9-28)22-13-20-12-21(25-16-23(20)32-22)18-6-10-29(11-7-18)33(2,30)31/h12,14-16,18-19,22H,3-11,13H2,1-2H3
InChIKeyACOOCLBBJBYZLG-UHFFFAOYSA-N
XLogP2.79
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine (CID 71455832) is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine is CCc1cnc(N2CCC(C3Cc4cc(C5CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is ACOOCLBBJBYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-3-17-14-26-24(27-15-17)28-8-4-19(5-9-28)22-13-20-12-21(25-16-23(20)32-22)18-6-10-29(11-7-18)33(2,30)31/h12,14-16,18-19,22H,3-11,13H2,1-2H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 471.63 g/mol, XLogP of 2.79, 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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71455832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).