1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone

C24H26FN7O2 — CID 168773789

About 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone

1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 168773789) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
• PubChem CID: 168773789
• Molecular Formula: C24H26FN7O2
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.21
• IUPAC Name: 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
• SMILES: COc1nc(NC2CCC3(CC2)CN(C(C)=O)C3)nc2[nH]cc(-c3ccc4ncc(F)n4c3)c12
• InChI: InChI=1S/C24H26FN7O2/c1-14(33)31-12-24(13-31)7-5-16(6-8-24)28-23-29-21-20(22(30-23)34-2)17(9-27-21)15-3-4-19-26-10-18(25)32(19)11-15/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H2,27,28,29,30)
• InChIKey: OWEGRZQQGSGFNM-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 100.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?

The IUPAC name of 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 168773789) is 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone.

What is the SMILES notation for 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?

The canonical SMILES for 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone is COc1nc(NC2CCC3(CC2)CN(C(C)=O)C3)nc2[nH]cc(-c3ccc4ncc(F)n4c3)c12.

What is the InChIKey of 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?

The InChIKey is OWEGRZQQGSGFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-14(33)31-12-24(13-31)7-5-16(6-8-24)28-23-29-21-20(22(30-23)34-2)17(9-27-21)15-3-4-19-26-10-18(25)32(19)11-15/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H2,27,28,29,30).

What are the key properties of 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?

1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 463.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[[5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 168773789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).