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

C26H29FN6O3S — CID 25126163

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25126163) has the molecular formula C26H29FN6O3S and a molecular weight of 524.62 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 25126163
• Molecular Formula: C26H29FN6O3S
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.20
• IUPAC Name: 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: CC(C)c1noc(CNCc2cccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)n2)n1
• InChI: InChI=1S/C26H29FN6O3S/c1-14(2)24-32-22(36-33-24)13-29-12-16-6-5-7-21(30-16)31-25-18(23(28)34)11-20(37-25)17-9-8-15(10-19(17)27)26(3,4)35/h5-11,14,29,35H,12-13H2,1-4H3,(H2,28,34)(H,30,31)
• InChIKey: MWFDOEXMJCWJFR-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 139.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25126163) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

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

The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)c1noc(CNCc2cccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)n2)n1.

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

The InChIKey is MWFDOEXMJCWJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3S/c1-14(2)24-32-22(36-33-24)13-29-12-16-6-5-7-21(30-16)31-25-18(23(28)34)11-20(37-25)17-9-8-15(10-19(17)27)26(3,4)35/h5-11,14,29,35H,12-13H2,1-4H3,(H2,28,34)(H,30,31).

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 4.82, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25126163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).