4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one

C32H34F2N2O4S — CID 170335083

About 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one (PubChem CID 170335083) has the molecular formula C32H34F2N2O4S and a molecular weight of 580.70 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
• PubChem CID: 170335083
• Molecular Formula: C32H34F2N2O4S
• Molecular Weight: 580.70 g/mol
• Exact Mass: 580.22
• IUPAC Name: 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
• SMILES: Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2sc(C(=O)N3CCCC(C)(F)C3)cc12
• InChI: InChI=1S/C32H34F2N2O4S/c1-18-12-21(33)13-19(2)27(18)40-25-9-8-20(31(3,4)39)14-22(25)24-16-35(6)30(38)28-23(24)15-26(41-28)29(37)36-11-7-10-32(5,34)17-36/h8-9,12-16,39H,7,10-11,17H2,1-6H3
• InChIKey: RGYITZHWEVGUKD-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 71.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.70
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?

The IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one (CID 170335083) is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?

The canonical SMILES for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2sc(C(=O)N3CCCC(C)(F)C3)cc12.

What is the InChIKey of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?

The InChIKey is RGYITZHWEVGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2O4S/c1-18-12-21(33)13-19(2)27(18)40-25-9-8-20(31(3,4)39)14-22(25)24-16-35(6)30(38)28-23(24)15-26(41-28)29(37)36-11-7-10-32(5,34)17-36/h8-9,12-16,39H,7,10-11,17H2,1-6H3.

What are the key properties of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one has a molecular weight of 580.70 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 170335083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).