5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C25H25F2N5O4S — CID 68740067

About 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 68740067) has the molecular formula C25H25F2N5O4S and a molecular weight of 529.57 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 68740067
• Molecular Formula: C25H25F2N5O4S
• Molecular Weight: 529.57 g/mol
• Exact Mass: 529.16
• IUPAC Name: 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: Cc1noc(COCCc2cccc(Nc3sc(-c4c(F)cc(C(C)CO)cc4F)cc3C(N)=O)n2)n1
• InChI: InChI=1S/C25H25F2N5O4S/c1-13(11-33)15-8-18(26)23(19(27)9-15)20-10-17(24(28)34)25(37-20)31-21-5-3-4-16(30-21)6-7-35-12-22-29-14(2)32-36-22/h3-5,8-10,13,33H,6-7,11-12H2,1-2H3,(H2,28,34)(H,30,31)
• InChIKey: ULIFVCXEHUAFAG-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 136.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.57
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
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 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 68740067) is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1noc(COCCc2cccc(Nc3sc(-c4c(F)cc(C(C)CO)cc4F)cc3C(N)=O)n2)n1.

What is the InChIKey of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The InChIKey is ULIFVCXEHUAFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4S/c1-13(11-33)15-8-18(26)23(19(27)9-15)20-10-17(24(28)34)25(37-20)31-21-5-3-4-16(30-21)6-7-35-12-22-29-14(2)32-36-22/h3-5,8-10,13,33H,6-7,11-12H2,1-2H3,(H2,28,34)(H,30,31).

What are the key properties of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 529.57 g/mol, XLogP of 4.48, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 68740067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).