(3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol

C26H28N6O4S — CID 170281010

About (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol

(3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol (PubChem CID 170281010) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol.

Molecular Properties

• Compound Name: (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol
• PubChem CID: 170281010
• Molecular Formula: C26H28N6O4S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.19
• IUPAC Name: (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol
• SMILES: Cc1ccc(N[C@@H]2CCN(S(=O)(=O)c3ccc(-c4cc(-c5nnc(C)o5)ncc4C)cc3)C[C@@H]2O)nc1
• InChI: InChI=1S/C26H28N6O4S/c1-16-4-9-25(28-13-16)29-22-10-11-32(15-24(22)33)37(34,35)20-7-5-19(6-8-20)21-12-23(27-14-17(21)2)26-31-30-18(3)36-26/h4-9,12-14,22,24,33H,10-11,15H2,1-3H3,(H,28,29)/t22-,24+/m1/s1
• InChIKey: HKWRJHIIIPDTHL-VWNXMTODSA-N
• XLogP: 3.35
• TPSA: 134.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol?

The IUPAC name of (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol (CID 170281010) is (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol.

What is the SMILES notation for (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol?

The canonical SMILES for (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol is Cc1ccc(N[C@@H]2CCN(S(=O)(=O)c3ccc(-c4cc(-c5nnc(C)o5)ncc4C)cc3)C[C@@H]2O)nc1.

What is the InChIKey of (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol?

The InChIKey is HKWRJHIIIPDTHL-VWNXMTODSA-N. The full InChI is InChI=1S/C26H28N6O4S/c1-16-4-9-25(28-13-16)29-22-10-11-32(15-24(22)33)37(34,35)20-7-5-19(6-8-20)21-12-23(27-14-17(21)2)26-31-30-18(3)36-26/h4-9,12-14,22,24,33H,10-11,15H2,1-3H3,(H,28,29)/t22-,24+/m1/s1.

What are the key properties of (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol?

(3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol has a molecular weight of 520.62 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol is sourced from PubChem (CID 170281010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).