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

C24H23F2N3O3 — CID 163273930

IUPAC4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc(F)cc(C)c1Oc1cn(CCCF)c(=O)cc1-c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C24H23F2N3O3/c1-14-9-16(26)10-15(2)23(14)32-20-13-29(8-4-6-25)21(30)11-18(20)19-12-28(3)24(31)22-17(19)5-7-27-22/h5,7,9-13,27H,4,6,8H2,1-3H3
InChIKeyOJEDPIBNCWBYKR-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.60
Rot. Bonds6

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

4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163273930) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID163273930
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc(F)cc(C)c1Oc1cn(CCCF)c(=O)cc1-c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C24H23F2N3O3/c1-14-9-16(26)10-15(2)23(14)32-20-13-29(8-4-6-25)21(30)11-18(20)19-12-28(3)24(31)22-17(19)5-7-27-22/h5,7,9-13,27H,4,6,8H2,1-3H3
InChIKeyOJEDPIBNCWBYKR-UHFFFAOYSA-N
XLogP4.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.60
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-[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
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-(2-hydroxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234596
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-[4-(2,4-difluorophenoxy)-1-methyl-2,3-dihydrobenzotriazol-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 118132045
4-[3-(2-methoxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234476
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
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-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 144852829
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
5-(2,4-difluorophenoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one
CID 118093648

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 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) is 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-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-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cc(F)cc(C)c1Oc1cn(CCCF)c(=O)cc1-c1cn(C)c(=O)c2[nH]ccc12.
What is the InChIKey of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OJEDPIBNCWBYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-14-9-16(26)10-15(2)23(14)32-20-13-29(8-4-6-25)21(30)11-18(20)19-12-28(3)24(31)22-17(19)5-7-27-22/h5,7,9-13,27H,4,6,8H2,1-3H3.
What are the key properties of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 439.46 g/mol, XLogP of 4.60, 6 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-dimethylphenoxy)-1-(3-fluoropropyl)-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).