6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C30H32FN5O6 — CID 44547478

About 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44547478) has the molecular formula C30H32FN5O6 and a molecular weight of 577.61 g/mol. Its IUPAC name is 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 44547478
• Molecular Formula: C30H32FN5O6
• Molecular Weight: 577.61 g/mol
• Exact Mass: 577.23
• IUPAC Name: 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: CN(C)CCOc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(OCCN(C)C)cn1
• InChI: InChI=1S/C30H32FN5O6/c1-34(2)9-12-40-23-16-33-24(41-13-10-35(3)4)14-18(23)17-36-22-15-21(31)19-7-11-42-28(19)26(22)25(27(36)30(38)39)20-6-5-8-32-29(20)37/h5-8,11,14-16H,9-10,12-13,17H2,1-4H3,(H,32,37)(H,38,39)
• InChIKey: OPTCACROZRVGFM-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 126.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.61
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44547478) is 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]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-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is CN(C)CCOc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(OCCN(C)C)cn1.

What is the InChIKey of 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is OPTCACROZRVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O6/c1-34(2)9-12-40-23-16-33-24(41-13-10-35(3)4)14-18(23)17-36-22-15-21(31)19-7-11-42-28(19)26(22)25(27(36)30(38)39)20-6-5-8-32-29(20)37/h5-8,11,14-16H,9-10,12-13,17H2,1-4H3,(H,32,37)(H,38,39).

What are the key properties of 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 577.61 g/mol, XLogP of 3.90, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2,5-bis[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44547478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).