6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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

C30H30F2N6O3 — CID 158496305

About 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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-[2-[(dimethylamino)methyl]pyrrolidin-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 158496305) has the molecular formula C30H30F2N6O3 and a molecular weight of 560.61 g/mol. Its IUPAC name is 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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-[2-[(dimethylamino)methyl]pyrrolidin-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: 158496305
• Molecular Formula: C30H30F2N6O3
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.23
• IUPAC Name: 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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(N3CCCC3CN(C)C)c1-2
• InChI: InChI=1S/C30H30F2N6O3/c1-33-22-10-21(31)26(32)24-17(22)9-23-25(24)27(38-7-5-6-16(38)13-36(2)3)19(12-34-23)15-8-18-28(39)20(30(40)41)14-37(4)29(18)35-11-15/h8,10-12,14,16,33H,5-7,9,13H2,1-4H3,(H,40,41)
• InChIKey: HJIJARDTNSHUAH-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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-[2-[(dimethylamino)methyl]pyrrolidin-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 158496305) is 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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-[2-[(dimethylamino)methyl]pyrrolidin-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-[2-[(dimethylamino)methyl]pyrrolidin-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(N3CCCC3CN(C)C)c1-2.

What is the InChIKey of 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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 HJIJARDTNSHUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O3/c1-33-22-10-21(31)26(32)24-17(22)9-23-25(24)27(38-7-5-6-16(38)13-36(2)3)19(12-34-23)15-8-18-28(39)20(30(40)41)14-37(4)29(18)35-11-15/h8,10-12,14,16,33H,5-7,9,13H2,1-4H3,(H,40,41).

What are the key properties of 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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-[2-[(dimethylamino)methyl]pyrrolidin-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 560.61 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[(dimethylamino)methyl]pyrrolidin-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 158496305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).