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

C23H23F2N5O3S — CID 70842606

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

2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide (PubChem CID 70842606) has the molecular formula C23H23F2N5O3S and a molecular weight of 487.53 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
• PubChem CID: 70842606
• Molecular Formula: C23H23F2N5O3S
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.15
• IUPAC Name: 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
• SMILES: Cc1nnc(Cc2cccc(NC3=C(C(N)=O)CC(c4c(F)cc(C(C)(C)O)cc4F)S3)n2)o1
• InChI: InChI=1S/C23H23F2N5O3S/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/h4-8,17,32H,9-10H2,1-3H3,(H2,26,31)(H,27,28)
• InChIKey: ITVMEAPIOYKDGG-UHFFFAOYSA-N
• XLogP: 3.86
• 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	487.53
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide (CID 70842606) is 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide.

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

The canonical SMILES for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide is Cc1nnc(Cc2cccc(NC3=C(C(N)=O)CC(c4c(F)cc(C(C)(C)O)cc4F)S3)n2)o1.

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

The InChIKey is ITVMEAPIOYKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3S/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/h4-8,17,32H,9-10H2,1-3H3,(H2,26,31)(H,27,28).

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

2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide is sourced from PubChem (CID 70842606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).