7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C18H23FN4O — CID 176681674

About 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681674) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 176681674
• Molecular Formula: C18H23FN4O
• Molecular Weight: 330.41 g/mol
• Exact Mass: 330.19
• IUPAC Name: 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CN1CCN(Cc2cnc3ccc(F)cn3c2=O)C2(CCCC2)C1
• InChI: InChI=1S/C18H23FN4O/c1-21-8-9-22(18(13-21)6-2-3-7-18)11-14-10-20-16-5-4-15(19)12-23(16)17(14)24/h4-5,10,12H,2-3,6-9,11,13H2,1H3
• InChIKey: HVGQKSGRROJIAN-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 40.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.41
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 176681674) is 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CN1CCN(Cc2cnc3ccc(F)cn3c2=O)C2(CCCC2)C1.

What is the InChIKey of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is HVGQKSGRROJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-21-8-9-22(18(13-21)6-2-3-7-18)11-14-10-20-16-5-4-15(19)12-23(16)17(14)24/h4-5,10,12H,2-3,6-9,11,13H2,1H3.

What are the key properties of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?

7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).