3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one

C29H23FN2O3 — CID 59622956

About 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one

3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one (PubChem CID 59622956) has the molecular formula C29H23FN2O3 and a molecular weight of 466.51 g/mol. Its IUPAC name is 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
• PubChem CID: 59622956
• Molecular Formula: C29H23FN2O3
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.17
• IUPAC Name: 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
• SMILES: CC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc2c(cc1F)C=CC(=O)C2)CCC3
• InChI: InChI=1S/C29H23FN2O3/c1-16(33)28-27(23-6-3-9-31-29(23)35)24-12-17-4-2-5-18(17)14-26(24)32(28)15-21-10-20-11-22(34)8-7-19(20)13-25(21)30/h3,6-10,12-14H,2,4-5,11,15H2,1H3,(H,31,35)
• InChIKey: AWTXOAFWHWHGSP-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 71.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?

The IUPAC name of 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one (CID 59622956) is 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one.

What is the SMILES notation for 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?

The canonical SMILES for 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one is CC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc2c(cc1F)C=CC(=O)C2)CCC3.

What is the InChIKey of 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?

The InChIKey is AWTXOAFWHWHGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O3/c1-16(33)28-27(23-6-3-9-31-29(23)35)24-12-17-4-2-5-18(17)14-26(24)32(28)15-21-10-20-11-22(34)8-7-19(20)13-25(21)30/h3,6-10,12-14H,2,4-5,11,15H2,1H3,(H,31,35).

What are the key properties of 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?

3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one has a molecular weight of 466.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59622956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).