cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

C28H30F3N3O4 — CID 142593693

About cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid (PubChem CID 142593693) has the molecular formula C28H30F3N3O4 and a molecular weight of 529.56 g/mol. Its IUPAC name is cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
• PubChem CID: 142593693
• Molecular Formula: C28H30F3N3O4
• Molecular Weight: 529.56 g/mol
• Exact Mass: 529.22
• IUPAC Name: cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
• SMILES: C1CC1.Cc1nc(-c2cc(OCC(F)F)ncc2F)cnc1C1CCc2ccc(CC(C)C(=O)O)cc2O1
• InChI: InChI=1S/C25H24F3N3O4.C3H6/c1-13(25(32)33)7-15-3-4-16-5-6-20(35-21(16)8-15)24-14(2)31-19(11-30-24)17-9-23(29-10-18(17)26)34-12-22(27)28;1-2-3-1/h3-4,8-11,13,20,22H,5-7,12H2,1-2H3,(H,32,33);1-3H2
• InChIKey: UAALWDTZBBJOHH-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 94.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.56
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?

The IUPAC name of cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid (CID 142593693) is cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid.

What is the SMILES notation for cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?

The canonical SMILES for cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid is C1CC1.Cc1nc(-c2cc(OCC(F)F)ncc2F)cnc1C1CCc2ccc(CC(C)C(=O)O)cc2O1.

What is the InChIKey of cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?

The InChIKey is UAALWDTZBBJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4.C3H6/c1-13(25(32)33)7-15-3-4-16-5-6-20(35-21(16)8-15)24-14(2)31-19(11-30-24)17-9-23(29-10-18(17)26)34-12-22(27)28;1-2-3-1/h3-4,8-11,13,20,22H,5-7,12H2,1-2H3,(H,32,33);1-3H2.

What are the key properties of cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?

cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid has a molecular weight of 529.56 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid is sourced from PubChem (CID 142593693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).