N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide

C26H32F2N6O4S — CID 142753094

About N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide

N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide (PubChem CID 142753094) has the molecular formula C26H32F2N6O4S and a molecular weight of 562.64 g/mol. Its IUPAC name is N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide
• PubChem CID: 142753094
• Molecular Formula: C26H32F2N6O4S
• Molecular Weight: 562.64 g/mol
• Exact Mass: 562.22
• IUPAC Name: N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide
• SMILES: CC(C)c1nc(-c2cnc(N3CCC(CCCOc4cc(F)c(NS(=O)(=O)C5CC5)c(F)c4)CC3)nc2)no1
• InChI: InChI=1S/C26H32F2N6O4S/c1-16(2)25-31-24(32-38-25)18-14-29-26(30-15-18)34-9-7-17(8-10-34)4-3-11-37-19-12-21(27)23(22(28)13-19)33-39(35,36)20-5-6-20/h12-17,20,33H,3-11H2,1-2H3
• InChIKey: HZGNCDHYMAMSGB-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 123.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.64
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide?

The IUPAC name of N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide (CID 142753094) is N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide?

The canonical SMILES for N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide is CC(C)c1nc(-c2cnc(N3CCC(CCCOc4cc(F)c(NS(=O)(=O)C5CC5)c(F)c4)CC3)nc2)no1.

What is the InChIKey of N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide?

The InChIKey is HZGNCDHYMAMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O4S/c1-16(2)25-31-24(32-38-25)18-14-29-26(30-15-18)34-9-7-17(8-10-34)4-3-11-37-19-12-21(27)23(22(28)13-19)33-39(35,36)20-5-6-20/h12-17,20,33H,3-11H2,1-2H3.

What are the key properties of N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide?

N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide has a molecular weight of 562.64 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-difluoro-4-[3-[1-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 142753094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).