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

C26H28N4O2 — CID 166456268

IUPAC4-(5-cyclopentyl-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)cc4C4CCCC4)cn(C)c(=O)c3[nH]2)cc(C)n1
InChIInChI=1S/C26H28N4O2/c1-15-9-18(10-16(2)27-15)23-11-20-22(14-30(4)26(32)25(20)28-23)19-12-24(31)29(3)13-21(19)17-7-5-6-8-17/h9-14,17,28H,5-8H2,1-4H3
InChIKeyWBVGVDYHRJLJPL-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.57
Rot. Bonds3

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

4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166456268) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(5-cyclopentyl-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-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID166456268
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-(5-cyclopentyl-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)cc4C4CCCC4)cn(C)c(=O)c3[nH]2)cc(C)n1
InChIInChI=1S/C26H28N4O2/c1-15-9-18(10-16(2)27-15)23-11-20-22(14-30(4)26(32)25(20)28-23)19-12-24(31)29(3)13-21(19)17-7-5-6-8-17/h9-14,17,28H,5-8H2,1-4H3
InChIKeyWBVGVDYHRJLJPL-UHFFFAOYSA-N
XLogP4.57
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.57
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-cyclopentyl-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-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 166456268) is 4-(5-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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)cc4C4CCCC4)cn(C)c(=O)c3[nH]2)cc(C)n1.
What is the InChIKey of 4-(5-cyclopentyl-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 WBVGVDYHRJLJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-15-9-18(10-16(2)27-15)23-11-20-22(14-30(4)26(32)25(20)28-23)19-12-24(31)29(3)13-21(19)17-7-5-6-8-17/h9-14,17,28H,5-8H2,1-4H3.
What are the key properties of 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-(5-cyclopentyl-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 428.54 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-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 166456268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).