4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one

C145H137F7N4O10 — CID 157267525

About 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one

4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one (PubChem CID 157267525) has the molecular formula C145H137F7N4O10 and a molecular weight of 2228.69 g/mol. Its IUPAC name is 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one.

Molecular Properties

• Compound Name: 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one
• PubChem CID: 157267525
• Molecular Formula: C145H137F7N4O10
• Molecular Weight: 2228.69 g/mol
• Exact Mass: 2227.02
• IUPAC Name: 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one
• SMILES: CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1cc(-c3ccc(C)nc3C)ccc1F)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1cc(-c3cnc(C)cc3C)ccc1F)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1cccc(-c3c(C)cccc3C)c1)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1nc(-c3c(C)cccc3C)ccc1F)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1nc(-c3ccccc3C(F)(F)F)ccc1F)O2
• InChI: InChI=1S/C30H30O2.3C29H28FNO2.C28H23F4NO2/c1-5-8-23(17-22(4)31)24-13-15-29-26(18-24)14-16-28(32-29)25-11-7-12-27(19-25)30-20(2)9-6-10-21(30)3;1-5-7-21(16-20(4)32)22-10-14-26-23(17-22)11-15-27(33-26)29-24(30)12-13-25(31-29)28-18(2)8-6-9-19(28)3;1-5-6-21(15-19(3)32)22-9-13-28-24(16-22)10-14-29(33-28)26-17-23(8-12-27(26)30)25-11-7-18(2)31-20(25)4;1-5-6-21(14-20(4)32)22-8-11-28-24(15-22)9-12-29(33-28)25-16-23(7-10-27(25)30)26-17-31-19(3)13-18(26)2;1-3-6-18(15-17(2)34)19-9-13-25-20(16-19)10-14-26(35-25)27-23(29)11-12-24(33-27)21-7-4-5-8-22(21)28(30,31)32/h6-7,9-13,15,18-19,23,28H,14,16-17H2,1-4H3;6,8-10,12-14,17,21,27H,11,15-16H2,1-4H3;7-9,11-13,16-17,21,29H,10,14-15H2,1-4H3;7-8,10-11,13,15-17,21,29H,9,12,14H2,1-4H3;4-5,7-9,11-13,16,18,26H,10,14-15H2,1-2H3
• InChIKey: AYDZRTUAZWSGNY-UHFFFAOYSA-N
• XLogP: 34.15
• TPSA: 183.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.69
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one?

The IUPAC name of 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one (CID 157267525) is 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one.

What is the SMILES notation for 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one?

The canonical SMILES for 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one is CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1cc(-c3ccc(C)nc3C)ccc1F)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1cc(-c3cnc(C)cc3C)ccc1F)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1cccc(-c3c(C)cccc3C)c1)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1nc(-c3c(C)cccc3C)ccc1F)O2.CC#CC(CC(C)=O)c1ccc2c(c1)CCC(c1nc(-c3ccccc3C(F)(F)F)ccc1F)O2.

What is the InChIKey of 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one?

The InChIKey is AYDZRTUAZWSGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2.3C29H28FNO2.C28H23F4NO2/c1-5-8-23(17-22(4)31)24-13-15-29-26(18-24)14-16-28(32-29)25-11-7-12-27(19-25)30-20(2)9-6-10-21(30)3;1-5-7-21(16-20(4)32)22-10-14-26-23(17-22)11-15-27(33-26)29-24(30)12-13-25(31-29)28-18(2)8-6-9-19(28)3;1-5-6-21(15-19(3)32)22-9-13-28-24(16-22)10-14-29(33-28)26-17-23(8-12-27(26)30)25-11-7-18(2)31-20(25)4;1-5-6-21(14-20(4)32)22-8-11-28-24(15-22)9-12-29(33-28)25-16-23(7-10-27(25)30)26-17-31-19(3)13-18(26)2;1-3-6-18(15-17(2)34)19-9-13-25-20(16-19)10-14-26(35-25)27-23(29)11-12-24(33-27)21-7-4-5-8-22(21)28(30,31)32/h6-7,9-13,15,18-19,23,28H,14,16-17H2,1-4H3;6,8-10,12-14,17,21,27H,11,15-16H2,1-4H3;7-9,11-13,16-17,21,29H,10,14-15H2,1-4H3;7-8,10-11,13,15-17,21,29H,9,12,14H2,1-4H3;4-5,7-9,11-13,16,18,26H,10,14-15H2,1-2H3.

What are the key properties of 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one?

4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one has a molecular weight of 2228.69 g/mol, XLogP of 34.15, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one is sourced from PubChem (CID 157267525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).