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

C29H27N3O3 — CID 166456265

IUPAC4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(-c2cc3c(-c4cc(=O)n(C)cc4Oc4c(C)cccc4C)cn(C)c(=O)c3[nH]2)cc1
InChIInChI=1S/C29H27N3O3/c1-17-9-11-20(12-10-17)24-13-22-23(15-32(5)29(34)27(22)30-24)21-14-26(33)31(4)16-25(21)35-28-18(2)7-6-8-19(28)3/h6-16,30H,1-5H3
InChIKeyHFUUQCNVCPSVKO-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.62
Rot. Bonds4

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

4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166456265) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID166456265
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(-c2cc3c(-c4cc(=O)n(C)cc4Oc4c(C)cccc4C)cn(C)c(=O)c3[nH]2)cc1
InChIInChI=1S/C29H27N3O3/c1-17-9-11-20(12-10-17)24-13-22-23(15-32(5)29(34)27(22)30-24)21-14-26(33)31(4)16-25(21)35-28-18(2)7-6-8-19(28)3/h6-16,30H,1-5H3
InChIKeyHFUUQCNVCPSVKO-UHFFFAOYSA-N
XLogP5.62
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 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) is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(-c2cc3c(-c4cc(=O)n(C)cc4Oc4c(C)cccc4C)cn(C)c(=O)c3[nH]2)cc1.
What is the InChIKey of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is HFUUQCNVCPSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-17-9-11-20(12-10-17)24-13-22-23(15-32(5)29(34)27(22)30-24)21-14-26(33)31(4)16-25(21)35-28-18(2)7-6-8-19(28)3/h6-16,30H,1-5H3.
What are the key properties of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 465.55 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166456265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).