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

C24H23F2N5O4S — CID 59526075

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526075) has the molecular formula C24H23F2N5O4S and a molecular weight of 515.54 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-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-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 59526075
• Molecular Formula: C24H23F2N5O4S
• Molecular Weight: 515.54 g/mol
• Exact Mass: 515.14
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nc(CCO)no1
• InChI: InChI=1S/C24H23F2N5O4S/c1-11-13(22-29-19(6-7-32)31-35-22)4-5-18(28-11)30-23-14(21(27)33)10-17(36-23)20-15(25)8-12(9-16(20)26)24(2,3)34/h4-5,8-10,32,34H,6-7H2,1-3H3,(H2,27,33)(H,28,30)
• InChIKey: IFPAJGPTJHGUMU-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 147.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.54
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	4
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-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-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-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526075) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-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-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-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-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nc(CCO)no1.

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

The InChIKey is IFPAJGPTJHGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4S/c1-11-13(22-29-19(6-7-32)31-35-22)4-5-18(28-11)30-23-14(21(27)33)10-17(36-23)20-15(25)8-12(9-16(20)26)24(2,3)34/h4-5,8-10,32,34H,6-7H2,1-3H3,(H2,27,33)(H,28,30).

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 4 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-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).