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

C25H25F2N5O4S — CID 59525989

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525989) has the molecular formula C25H25F2N5O4S and a molecular weight of 529.57 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 59525989
• Molecular Formula: C25H25F2N5O4S
• Molecular Weight: 529.57 g/mol
• Exact Mass: 529.16
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: COCCc1nnc(-c2ccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)nc2C)o1
• InChI: InChI=1S/C25H25F2N5O4S/c1-12-14(23-32-31-20(36-23)7-8-35-4)5-6-19(29-12)30-24-15(22(28)33)11-18(37-24)21-16(26)9-13(10-17(21)27)25(2,3)34/h5-6,9-11,34H,7-8H2,1-4H3,(H2,28,33)(H,29,30)
• InChIKey: OWPFLYMRBFPENE-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 136.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.57
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525989) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide.

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

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is COCCc1nnc(-c2ccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)nc2C)o1.

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

The InChIKey is OWPFLYMRBFPENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4S/c1-12-14(23-32-31-20(36-23)7-8-35-4)5-6-19(29-12)30-24-15(22(28)33)11-18(37-24)21-16(26)9-13(10-17(21)27)25(2,3)34/h5-6,9-11,34H,7-8H2,1-4H3,(H2,28,33)(H,29,30).

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 529.57 g/mol, XLogP of 4.71, 9 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-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).