4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C29H26N4O3 — CID 171828003

IUPAC4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc(-c2cc3c(-c4cc(=O)n(C)cc4-c4ccc5c(c4)COC5)cn(C)c(=O)c3[nH]2)cc(C)n1
InChIInChI=1S/C29H26N4O3/c1-16-7-20(8-17(2)30-16)26-10-23-25(13-33(4)29(35)28(23)31-26)22-11-27(34)32(3)12-24(22)18-5-6-19-14-36-15-21(19)9-18/h5-13,31H,14-15H2,1-4H3
InChIKeyFRBVEGKARYUHFL-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.61
Rot. Bonds3

About 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171828003) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID171828003
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc(-c2cc3c(-c4cc(=O)n(C)cc4-c4ccc5c(c4)COC5)cn(C)c(=O)c3[nH]2)cc(C)n1
InChIInChI=1S/C29H26N4O3/c1-16-7-20(8-17(2)30-16)26-10-23-25(13-33(4)29(35)28(23)31-26)22-11-27(34)32(3)12-24(22)18-5-6-19-14-36-15-21(19)9-18/h5-13,31H,14-15H2,1-4H3
InChIKeyFRBVEGKARYUHFL-UHFFFAOYSA-N
XLogP4.61
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171828003) is 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cc(-c2cc3c(-c4cc(=O)n(C)cc4-c4ccc5c(c4)COC5)cn(C)c(=O)c3[nH]2)cc(C)n1.
What is the InChIKey of 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FRBVEGKARYUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-16-7-20(8-17(2)30-16)26-10-23-25(13-33(4)29(35)28(23)31-26)22-11-27(34)32(3)12-24(22)18-5-6-19-14-36-15-21(19)9-18/h5-13,31H,14-15H2,1-4H3.
What are the key properties of 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 478.55 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-4-pyridinyl]-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171828003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).