6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C30H30F2N6O4 — CID 159873613

About 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159873613) has the molecular formula C30H30F2N6O4 and a molecular weight of 576.60 g/mol. Its IUPAC name is 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 159873613
• Molecular Formula: C30H30F2N6O4
• Molecular Weight: 576.60 g/mol
• Exact Mass: 576.23
• IUPAC Name: 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C)c(N3CCC(N(C)CCO)C3)c1-2
• InChI: InChI=1S/C30H30F2N6O4/c1-33-22-10-21(31)26(32)24-17(22)9-23-25(24)27(38-5-4-16(13-38)36(2)6-7-39)19(12-34-23)15-8-18-28(40)20(30(41)42)14-37(3)29(18)35-11-15/h8,10-12,14,16,33,39H,4-7,9,13H2,1-3H3,(H,41,42)
• InChIKey: NSPVFRHJSUVTLI-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 123.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.60
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 159873613) is 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C)c(N3CCC(N(C)CCO)C3)c1-2.

What is the InChIKey of 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is NSPVFRHJSUVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O4/c1-33-22-10-21(31)26(32)24-17(22)9-23-25(24)27(38-5-4-16(13-38)36(2)6-7-39)19(12-34-23)15-8-18-28(40)20(30(41)42)14-37(3)29(18)35-11-15/h8,10-12,14,16,33,39H,4-7,9,13H2,1-3H3,(H,41,42).

What are the key properties of 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 576.60 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159873613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).