1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one

C24H22IN3O2 — CID 157089905

About 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one

1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one (PubChem CID 157089905) has the molecular formula C24H22IN3O2 and a molecular weight of 511.36 g/mol. Its IUPAC name is 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
• PubChem CID: 157089905
• Molecular Formula: C24H22IN3O2
• Molecular Weight: 511.36 g/mol
• Exact Mass: 511.08
• IUPAC Name: 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
• SMILES: O=c1cc(C2=CCc3ncc(N4CCOCC4)cc32)ccn1Cc1cccc(I)c1
• InChI: InChI=1S/C24H22IN3O2/c25-19-3-1-2-17(12-19)16-28-7-6-18(13-24(28)29)21-4-5-23-22(21)14-20(15-26-23)27-8-10-30-11-9-27/h1-4,6-7,12-15H,5,8-11,16H2
• InChIKey: AENUBLWMJOAYRJ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 47.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.36
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one?

The IUPAC name of 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one (CID 157089905) is 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one.

What is the SMILES notation for 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one?

The canonical SMILES for 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one is O=c1cc(C2=CCc3ncc(N4CCOCC4)cc32)ccn1Cc1cccc(I)c1.

What is the InChIKey of 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one?

The InChIKey is AENUBLWMJOAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22IN3O2/c25-19-3-1-2-17(12-19)16-28-7-6-18(13-24(28)29)21-4-5-23-22(21)14-20(15-26-23)27-8-10-30-11-9-27/h1-4,6-7,12-15H,5,8-11,16H2.

What are the key properties of 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one?

1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one has a molecular weight of 511.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one is sourced from PubChem (CID 157089905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).