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

C23H24F2N4O3S — CID 59525781

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

2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 59525781) has the molecular formula C23H24F2N4O3S and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• PubChem CID: 59525781
• Molecular Formula: C23H24F2N4O3S
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.15
• IUPAC Name: 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• SMILES: CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(C)(C)C(N)=O)n3)s2)c(F)c1
• InChI: InChI=1S/C23H24F2N4O3S/c1-22(2,21(27)31)16-6-5-7-17(28-16)29-20-12(19(26)30)10-15(33-20)18-13(24)8-11(9-14(18)25)23(3,4)32/h5-10,32H,1-4H3,(H2,26,30)(H2,27,31)(H,28,29)
• InChIKey: WVHKGQLYBRAOKW-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 131.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 59525781) is 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

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

The canonical SMILES for 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(C)(C)C(N)=O)n3)s2)c(F)c1.

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

The InChIKey is WVHKGQLYBRAOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3S/c1-22(2,21(27)31)16-6-5-7-17(28-16)29-20-12(19(26)30)10-15(33-20)18-13(24)8-11(9-14(18)25)23(3,4)32/h5-10,32H,1-4H3,(H2,26,30)(H2,27,31)(H,28,29).

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

2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(1-amino-2-methyl-1-oxopropan-2-yl)-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 59525781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).