4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C22H20FN3O3 — CID 175723544

IUPAC4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILES[2H]C([2H])([2H])c1cc(F)cc(C([2H])([2H])[2H])c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C22H20FN3O3/c1-12-7-14(23)8-13(2)21(12)29-18-11-25(3)19(27)9-16(18)17-10-26(4)22(28)20-15(17)5-6-24-20/h5-11,24H,1-4H3/i1D3,2D3
InChIKeyGIZDBZDBZIEPCV-WFGJKAKNSA-N
MW399.45 g/mol
LogP3.78
Rot. Bonds5

About 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 175723544) has the molecular formula C22H20FN3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID175723544
Molecular FormulaC22H20FN3O3
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILES[2H]C([2H])([2H])c1cc(F)cc(C([2H])([2H])[2H])c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C22H20FN3O3/c1-12-7-14(23)8-13(2)21(12)29-18-11-25(3)19(27)9-16(18)17-10-26(4)22(28)20-15(17)5-6-24-20/h5-11,24H,1-4H3/i1D3,2D3
InChIKeyGIZDBZDBZIEPCV-WFGJKAKNSA-N
XLogP3.78
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2,6-dimethoxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 163274025
4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 163273930
4-[5-(2-hydroxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234596
4-bromo-5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methylpyridin-2-one
CID 172746972
2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171828148
4-[4-(2,4-difluorophenoxy)-1-methyl-2,3-dihydrobenzotriazol-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 118132045
4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine
CID 163274079
4-[2-(2,4-difluorophenoxy)-5-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226794
4-[2-(2,4-difluorophenoxy)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226795
4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 166456265
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 144852829
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 175723544) is 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is [2H]C([2H])([2H])c1cc(F)cc(C([2H])([2H])[2H])c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]ccc12.
What is the InChIKey of 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is GIZDBZDBZIEPCV-WFGJKAKNSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-12-7-14(23)8-13(2)21(12)29-18-11-25(3)19(27)9-16(18)17-10-26(4)22(28)20-15(17)5-6-24-20/h5-11,24H,1-4H3/i1D3,2D3.
What are the key properties of 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 399.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 175723544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).