3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one

C17H15F3N2O3 — CID 121361942

About 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one

3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one (PubChem CID 121361942) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one.

Molecular Properties

• Compound Name: 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one
• PubChem CID: 121361942
• Molecular Formula: C17H15F3N2O3
• Molecular Weight: 352.31 g/mol
• Exact Mass: 352.10
• IUPAC Name: 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one
• SMILES: COc1cc(CN2C(=O)C(F)(F)c3c([C@H](C)O)cccc32)ncc1F
• InChI: InChI=1S/C17H15F3N2O3/c1-9(23)11-4-3-5-13-15(11)17(19,20)16(24)22(13)8-10-6-14(25-2)12(18)7-21-10/h3-7,9,23H,8H2,1-2H3/t9-/m0/s1
• InChIKey: GJEWNYPZIGPMOS-VIFPVBQESA-N
• XLogP: 2.92
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.31
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one?

The IUPAC name of 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one (CID 121361942) is 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one.

What is the SMILES notation for 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one?

The canonical SMILES for 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one is COc1cc(CN2C(=O)C(F)(F)c3c([C@H](C)O)cccc32)ncc1F.

What is the InChIKey of 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one?

The InChIKey is GJEWNYPZIGPMOS-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-9(23)11-4-3-5-13-15(11)17(19,20)16(24)22(13)8-10-6-14(25-2)12(18)7-21-10/h3-7,9,23H,8H2,1-2H3/t9-/m0/s1.

What are the key properties of 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one?

3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one has a molecular weight of 352.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one is sourced from PubChem (CID 121361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).