(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine

C23H31N5O4S — CID 71217156

IUPAC(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCC(C)c1noc(N2CCC([C@H]3Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)n1
InChIInChI=1S/C23H31N5O4S/c1-15(2)22-25-23(32-26-22)27-8-4-17(5-9-27)20-13-18-12-19(24-14-21(18)31-20)16-6-10-28(11-7-16)33(3,29)30/h6,12,14-15,17,20H,4-5,7-11,13H2,1-3H3/t20-/m1/s1
InChIKeyRJZBZSYBCAXBBY-HXUWFJFHSA-N
MW473.60 g/mol
LogP2.86
Rot. Bonds5

About (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine

(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71217156) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71217156
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCC(C)c1noc(N2CCC([C@H]3Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)n1
InChIInChI=1S/C23H31N5O4S/c1-15(2)22-25-23(32-26-22)27-8-4-17(5-9-27)20-13-18-12-19(24-14-21(18)31-20)16-6-10-28(11-7-16)33(3,29)30/h6,12,14-15,17,20H,4-5,7-11,13H2,1-3H3/t20-/m1/s1
InChIKeyRJZBZSYBCAXBBY-HXUWFJFHSA-N
XLogP2.86
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (CID 71217156) is (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is CC(C)c1noc(N2CCC([C@H]3Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)n1.
What is the InChIKey of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is RJZBZSYBCAXBBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-15(2)22-25-23(32-26-22)27-8-4-17(5-9-27)20-13-18-12-19(24-14-21(18)31-20)16-6-10-28(11-7-16)33(3,29)30/h6,12,14-15,17,20H,4-5,7-11,13H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 473.60 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71217156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).