2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid

C38H34FN5O5 — CID 143720046

About 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid

2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid (PubChem CID 143720046) has the molecular formula C38H34FN5O5 and a molecular weight of 659.72 g/mol. Its IUPAC name is 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid
• PubChem CID: 143720046
• Molecular Formula: C38H34FN5O5
• Molecular Weight: 659.72 g/mol
• Exact Mass: 659.25
• IUPAC Name: 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid
• SMILES: Cc1cnc2c(c1)C(=O)C(CCC1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)C(=O)N2c1cccc(-c2ccccc2C(=O)O)c1
• InChI: InChI=1S/C38H34FN5O5/c1-22-17-31-34(45)30(15-11-23-9-13-26(14-10-23)41-36(46)32-21-43-20-25(39)12-16-33(43)42-32)37(47)44(35(31)40-19-22)27-6-4-5-24(18-27)28-7-2-3-8-29(28)38(48)49/h2-8,12,16-21,23,26,30H,9-11,13-15H2,1H3,(H,41,46)(H,48,49)
• InChIKey: UVTXQMFXCQESKM-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 133.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.72
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid?

The IUPAC name of 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid (CID 143720046) is 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid.

What is the SMILES notation for 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid?

The canonical SMILES for 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid is Cc1cnc2c(c1)C(=O)C(CCC1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)C(=O)N2c1cccc(-c2ccccc2C(=O)O)c1.

What is the InChIKey of 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid?

The InChIKey is UVTXQMFXCQESKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34FN5O5/c1-22-17-31-34(45)30(15-11-23-9-13-26(14-10-23)41-36(46)32-21-43-20-25(39)12-16-33(43)42-32)37(47)44(35(31)40-19-22)27-6-4-5-24(18-27)28-7-2-3-8-29(28)38(48)49/h2-8,12,16-21,23,26,30H,9-11,13-15H2,1H3,(H,41,46)(H,48,49).

What are the key properties of 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid?

2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid has a molecular weight of 659.72 g/mol, XLogP of 6.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid is sourced from PubChem (CID 143720046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).