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

C25H27F2N5O4S — CID 59525737

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525737) has the molecular formula C25H27F2N5O4S and a molecular weight of 531.59 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 59525737
• Molecular Formula: C25H27F2N5O4S
• Molecular Weight: 531.59 g/mol
• Exact Mass: 531.18
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CN4CCN(CCO)C4=O)n3)s2)c(F)c1
• InChI: InChI=1S/C25H27F2N5O4S/c1-25(2,36)14-10-17(26)21(18(27)11-14)19-12-16(22(28)34)23(37-19)30-20-5-3-4-15(29-20)13-32-7-6-31(8-9-33)24(32)35/h3-5,10-12,33,36H,6-9,13H2,1-2H3,(H2,28,34)(H,29,30)
• InChIKey: DHVXVOGHFDKEPU-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 132.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.59
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525737) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-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-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CN4CCN(CCO)C4=O)n3)s2)c(F)c1.

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

The InChIKey is DHVXVOGHFDKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O4S/c1-25(2,36)14-10-17(26)21(18(27)11-14)19-12-16(22(28)34)23(37-19)30-20-5-3-4-15(29-20)13-32-7-6-31(8-9-33)24(32)35/h3-5,10-12,33,36H,6-9,13H2,1-2H3,(H2,28,34)(H,29,30).

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 3.39, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).