2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C30H34F5N3O3Si — CID 155595405

About 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 155595405) has the molecular formula C30H34F5N3O3Si and a molecular weight of 607.70 g/mol. Its IUPAC name is 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 155595405
• Molecular Formula: C30H34F5N3O3Si
• Molecular Weight: 607.70 g/mol
• Exact Mass: 607.23
• IUPAC Name: 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(N2Cc3c(cc(C(F)F)nc3-c3ccccc3OCC(F)(F)F)C2=O)cn1
• InChI: InChI=1S/C30H34F5N3O3Si/c1-28(2,3)42(6,7)41-29(4,5)24-13-12-18(15-36-24)38-16-21-20(27(38)39)14-22(26(31)32)37-25(21)19-10-8-9-11-23(19)40-17-30(33,34)35/h8-15,26H,16-17H2,1-7H3
• InChIKey: OTWDSCONZDZYOG-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.70
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 155595405) is 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(N2Cc3c(cc(C(F)F)nc3-c3ccccc3OCC(F)(F)F)C2=O)cn1.

What is the InChIKey of 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is OTWDSCONZDZYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F5N3O3Si/c1-28(2,3)42(6,7)41-29(4,5)24-13-12-18(15-36-24)38-16-21-20(27(38)39)14-22(26(31)32)37-25(21)19-10-8-9-11-23(19)40-17-30(33,34)35/h8-15,26H,16-17H2,1-7H3.

What are the key properties of 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 607.70 g/mol, XLogP of 8.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-pyridinyl]-6-(difluoromethyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 155595405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).