6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C29H28FN5O5 — CID 148596669

About 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 148596669) has the molecular formula C29H28FN5O5 and a molecular weight of 545.57 g/mol. Its IUPAC name is 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 148596669
• Molecular Formula: C29H28FN5O5
• Molecular Weight: 545.57 g/mol
• Exact Mass: 545.21
• IUPAC Name: 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CNc1cc(F)cc2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C(C)CO)c(N3CCOCC3)c1-2
• InChI: InChI=1S/C29H28FN5O5/c1-15(14-36)35-13-22(29(38)39)27(37)20-7-16(11-33-28(20)35)21-12-32-24-10-18-19(8-17(30)9-23(18)31-2)25(24)26(21)34-3-5-40-6-4-34/h7-9,11-13,15,31,36H,3-6,10,14H2,1-2H3,(H,38,39)
• InChIKey: NBRSKSOWEQCYQO-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 129.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.57
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 148596669) is 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CNc1cc(F)cc2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C(C)CO)c(N3CCOCC3)c1-2.

What is the InChIKey of 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is NBRSKSOWEQCYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O5/c1-15(14-36)35-13-22(29(38)39)27(37)20-7-16(11-33-28(20)35)21-12-32-24-10-18-19(8-17(30)9-23(18)31-2)25(24)26(21)34-3-5-40-6-4-34/h7-9,11-13,15,31,36H,3-6,10,14H2,1-2H3,(H,38,39).

What are the key properties of 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 545.57 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-1-(1-hydroxypropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 148596669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).