3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one

C26H24F2N2O2 — CID 157396591

IUPAC3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=C(CCCCCC1=CCc2ncccc21)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H24F2N2O2/c27-22-12-10-18(16-23(22)28)17-30-15-5-8-21(26(30)32)25(31)9-3-1-2-6-19-11-13-24-20(19)7-4-14-29-24/h4-5,7-8,10-12,14-16H,1-3,6,9,13,17H2
InChIKeyJAJJGAMFQSGQOZ-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.34
Rot. Bonds9

About 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one

3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one (PubChem CID 157396591) has the molecular formula C26H24F2N2O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
PubChem CID157396591
Molecular FormulaC26H24F2N2O2
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=C(CCCCCC1=CCc2ncccc21)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H24F2N2O2/c27-22-12-10-18(16-23(22)28)17-30-15-5-8-21(26(30)32)25(31)9-3-1-2-6-19-11-13-24-20(19)7-4-14-29-24/h4-5,7-8,10-12,14-16H,1-3,6,9,13,17H2
InChIKeyJAJJGAMFQSGQOZ-UHFFFAOYSA-N
XLogP5.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one with MolForge

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-[8-(4-methoxypyrimidin-2-yl)octanoyl]pyridin-2-one
CID 159743186
3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 157264274
4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 147339914
1-[(3,4-difluorophenyl)methyl]-3-[4-[4-(2-oxopropyl)phenoxy]butanoyl]pyridin-2-one
CID 159666432
1-[(3,4-difluorophenyl)methyl]-3-[3-[1-oxido-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-1-ium-3-yl]propanoyl]pyridin-2-one
CID 153041308
6-[4-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-oxobutoxy]-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 147186883
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 149385628
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one
CID 159651260
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide
CID 59362727

Frequently Asked Questions

What is the IUPAC name of 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one (CID 157396591) is 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one is O=C(CCCCCC1=CCc2ncccc21)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is JAJJGAMFQSGQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O2/c27-22-12-10-18(16-23(22)28)17-30-15-5-8-21(26(30)32)25(31)9-3-1-2-6-19-11-13-24-20(19)7-4-14-29-24/h4-5,7-8,10-12,14-16H,1-3,6,9,13,17H2.
What are the key properties of 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 434.49 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 157396591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).