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

C31H32F2N6O3 — CID 159706276

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

6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159706276) has the molecular formula C31H32F2N6O3 and a molecular weight of 574.63 g/mol. Its IUPAC name is 6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 159706276
• Molecular Formula: C31H32F2N6O3
• Molecular Weight: 574.63 g/mol
• Exact Mass: 574.25
• IUPAC Name: 6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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(C)(CN(C)C)C3)c1-2
• InChI: InChI=1S/C31H32F2N6O3/c1-31(14-37(3)4)6-7-39(15-31)27-19(16-8-18-28(40)20(30(41)42)13-38(5)29(18)36-11-16)12-35-23-9-17-22(34-2)10-21(32)26(33)24(17)25(23)27/h8,10-13,34H,6-7,9,14-15H2,1-5H3,(H,41,42)
• InChIKey: MYGGCONUODKXOG-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.63
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 159706276) is 6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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(C)(CN(C)C)C3)c1-2.

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

The InChIKey is MYGGCONUODKXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N6O3/c1-31(14-37(3)4)6-7-39(15-31)27-19(16-8-18-28(40)20(30(41)42)13-38(5)29(18)36-11-16)12-35-23-9-17-22(34-2)10-21(32)26(33)24(17)25(23)27/h8,10-13,34H,6-7,9,14-15H2,1-5H3,(H,41,42).

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

6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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 574.63 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-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 159706276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).