4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C20H12F5N3O2 — CID 163405492

About 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 163405492) has the molecular formula C20H12F5N3O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 163405492
• Molecular Formula: C20H12F5N3O2
• Molecular Weight: 421.33 g/mol
• Exact Mass: 421.08
• IUPAC Name: 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: O=C1c2ccnc(-c3ccccc3OC(F)F)c2CN1c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C20H12F5N3O2/c21-19(22)30-15-4-2-1-3-13(15)17-14-10-28(18(29)12(14)7-8-26-17)16-6-5-11(9-27-16)20(23,24)25/h1-9,19H,10H2
• InChIKey: FZTWBUILRFEBLM-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.33
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 163405492) is 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2ccnc(-c3ccccc3OC(F)F)c2CN1c1ccc(C(F)(F)F)cn1.

What is the InChIKey of 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is FZTWBUILRFEBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N3O2/c21-19(22)30-15-4-2-1-3-13(15)17-14-10-28(18(29)12(14)7-8-26-17)16-6-5-11(9-27-16)20(23,24)25/h1-9,19H,10H2.

What are the key properties of 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 421.33 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 163405492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).