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

C23H21F2N5O3S — CID 59526122

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526122) has the molecular formula C23H21F2N5O3S and a molecular weight of 485.52 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 59526122
• Molecular Formula: C23H21F2N5O3S
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.13
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: Cc1nnc(Cc2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)o1
• InChI: InChI=1S/C23H21F2N5O3S/c1-11-29-30-19(33-11)9-13-5-4-6-18(27-13)28-22-14(21(26)31)10-17(34-22)20-15(24)7-12(8-16(20)25)23(2,3)32/h4-8,10,32H,9H2,1-3H3,(H2,26,31)(H,27,28)
• InChIKey: UEUZGTKGKZMNNX-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 127.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526122) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

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

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nnc(Cc2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)o1.

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

The InChIKey is UEUZGTKGKZMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3S/c1-11-29-30-19(33-11)9-13-5-4-6-18(27-13)28-22-14(21(26)31)10-17(34-22)20-15(24)7-12(8-16(20)25)23(2,3)32/h4-8,10,32H,9H2,1-3H3,(H2,26,31)(H,27,28).

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).