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

C29H29FN6O3 — CID 152888898

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

6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 152888898) has the molecular formula C29H29FN6O3 and a molecular weight of 528.59 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-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-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 152888898
• Molecular Formula: C29H29FN6O3
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.23
• IUPAC Name: 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CNc1cc(F)cc2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C)c(N3CCC(N(C)C)C3)c1-2
• InChI: InChI=1S/C29H29FN6O3/c1-31-23-9-16(30)8-19-18(23)10-24-25(19)26(36-6-5-17(13-36)34(2)3)21(12-32-24)15-7-20-27(37)22(29(38)39)14-35(4)28(20)33-11-15/h7-9,11-12,14,17,31H,5-6,10,13H2,1-4H3,(H,38,39)
• InChIKey: UDBCBHVWSHLJHO-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.59
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-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-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 152888898) is 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-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-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-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-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CNc1cc(F)cc2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C)c(N3CCC(N(C)C)C3)c1-2.

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

The InChIKey is UDBCBHVWSHLJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O3/c1-31-23-9-16(30)8-19-18(23)10-24-25(19)26(36-6-5-17(13-36)34(2)3)21(12-32-24)15-7-20-27(37)22(29(38)39)14-35(4)28(20)33-11-15/h7-9,11-12,14,17,31H,5-6,10,13H2,1-4H3,(H,38,39).

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

6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-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 528.59 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-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 152888898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).