6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C25H14ClFN4O4 — CID 44548901

About 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44548901) has the molecular formula C25H14ClFN4O4 and a molecular weight of 488.86 g/mol. Its IUPAC name is 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 44548901
• Molecular Formula: C25H14ClFN4O4
• Molecular Weight: 488.86 g/mol
• Exact Mass: 488.07
• IUPAC Name: 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cccnc2nc1Cl
• InChI: InChI=1S/C25H14ClFN4O4/c26-22-13(9-12-3-1-6-28-23(12)30-22)11-31-17-10-16(27)14-5-8-35-21(14)19(17)18(20(31)25(33)34)15-4-2-7-29-24(15)32/h1-10H,11H2,(H,29,32)(H,33,34)
• InChIKey: RQZCCQRVPUOECN-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 114.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.86
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44548901) is 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cccnc2nc1Cl.

What is the InChIKey of 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is RQZCCQRVPUOECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClFN4O4/c26-22-13(9-12-3-1-6-28-23(12)30-22)11-31-17-10-16(27)14-5-8-35-21(14)19(17)18(20(31)25(33)34)15-4-2-7-29-24(15)32/h1-10H,11H2,(H,29,32)(H,33,34).

What are the key properties of 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 488.86 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44548901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).