6-[4-[3-(2-cyclopropylethyl)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

C32H32FN5O3 — CID 160583439

About 6-[4-[3-(2-cyclopropylethyl)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-(2-cyclopropylethyl)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 160583439) has the molecular formula C32H32FN5O3 and a molecular weight of 553.64 g/mol. Its IUPAC name is 6-[4-[3-(2-cyclopropylethyl)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-(2-cyclopropylethyl)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: 160583439
• Molecular Formula: C32H32FN5O3
• Molecular Weight: 553.64 g/mol
• Exact Mass: 553.25
• IUPAC Name: 6-[4-[3-(2-cyclopropylethyl)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(CCC4CC4)C3)c1-2
• InChI: InChI=1S/C32H32FN5O3/c1-34-26-11-20(33)10-22-21(26)12-27-28(22)29(38-8-7-18(15-38)6-5-17-3-4-17)24(14-35-27)19-9-23-30(39)25(32(40)41)16-37(2)31(23)36-13-19/h9-11,13-14,16-18,34H,3-8,12,15H2,1-2H3,(H,40,41)
• InChIKey: RCBUUJSLHCWMQI-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.64
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(2-cyclopropylethyl)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-(2-cyclopropylethyl)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 160583439) is 6-[4-[3-(2-cyclopropylethyl)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-(2-cyclopropylethyl)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-(2-cyclopropylethyl)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(CCC4CC4)C3)c1-2.

What is the InChIKey of 6-[4-[3-(2-cyclopropylethyl)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 RCBUUJSLHCWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O3/c1-34-26-11-20(33)10-22-21(26)12-27-28(22)29(38-8-7-18(15-38)6-5-17-3-4-17)24(14-35-27)19-9-23-30(39)25(32(40)41)16-37(2)31(23)36-13-19/h9-11,13-14,16-18,34H,3-8,12,15H2,1-2H3,(H,40,41).

What are the key properties of 6-[4-[3-(2-cyclopropylethyl)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-(2-cyclopropylethyl)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 553.64 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(2-cyclopropylethyl)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 160583439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).