9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C21H20FN5O3 — CID 169416061

About 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 169416061) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

• Compound Name: 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
• PubChem CID: 169416061
• Molecular Formula: C21H20FN5O3
• Molecular Weight: 409.42 g/mol
• Exact Mass: 409.16
• IUPAC Name: 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
• SMILES: O=C1NCC2(CCCN(C(=O)c3cc(F)cc(-c4cnc5nccn5c4)c3)CC2)O1
• InChI: InChI=1S/C21H20FN5O3/c22-17-9-14(16-11-24-19-23-4-7-27(19)12-16)8-15(10-17)18(28)26-5-1-2-21(3-6-26)13-25-20(29)30-21/h4,7-12H,1-3,5-6,13H2,(H,25,29)
• InChIKey: OMYIRTURQDWHJQ-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.42
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

The IUPAC name of 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 169416061) is 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

What is the SMILES notation for 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

The canonical SMILES for 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NCC2(CCCN(C(=O)c3cc(F)cc(-c4cnc5nccn5c4)c3)CC2)O1.

What is the InChIKey of 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

The InChIKey is OMYIRTURQDWHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-17-9-14(16-11-24-19-23-4-7-27(19)12-16)8-15(10-17)18(28)26-5-1-2-21(3-6-26)13-25-20(29)30-21/h4,7-12H,1-3,5-6,13H2,(H,25,29).

What are the key properties of 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 409.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 169416061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).