[4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate

C24H26FN7O3 — CID 177040714

About [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate

[4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate (PubChem CID 177040714) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate.

Molecular Properties

• Compound Name: [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate
• PubChem CID: 177040714
• Molecular Formula: C24H26FN7O3
• Molecular Weight: 479.52 g/mol
• Exact Mass: 479.21
• IUPAC Name: [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate
• SMILES: Cc1cn2cc(N3c4nccc(N5CC6CCCC(C5)N6)c4CC3OC(=O)C(N)=O)c(F)cc2n1
• InChI: InChI=1S/C24H26FN7O3/c1-13-9-31-12-19(17(25)8-20(31)28-13)32-21(35-24(34)22(26)33)7-16-18(5-6-27-23(16)32)30-10-14-3-2-4-15(11-30)29-14/h5-6,8-9,12,14-15,21,29H,2-4,7,10-11H2,1H3,(H2,26,33)
• InChIKey: FFXWXZMXUHMJRO-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 118.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.52
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate?

The IUPAC name of [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate (CID 177040714) is [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate.

What is the SMILES notation for [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate?

The canonical SMILES for [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate is Cc1cn2cc(N3c4nccc(N5CC6CCCC(C5)N6)c4CC3OC(=O)C(N)=O)c(F)cc2n1.

What is the InChIKey of [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate?

The InChIKey is FFXWXZMXUHMJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-13-9-31-12-19(17(25)8-20(31)28-13)32-21(35-24(34)22(26)33)7-16-18(5-6-27-23(16)32)30-10-14-3-2-4-15(11-30)29-14/h5-6,8-9,12,14-15,21,29H,2-4,7,10-11H2,1H3,(H2,26,33).

What are the key properties of [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate?

[4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate has a molecular weight of 479.52 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate is sourced from PubChem (CID 177040714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).