6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde

C19H23FN4O2 — CID 176681641

About 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde

6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde (PubChem CID 176681641) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde.

Molecular Properties

• Compound Name: 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
• PubChem CID: 176681641
• Molecular Formula: C19H23FN4O2
• Molecular Weight: 358.42 g/mol
• Exact Mass: 358.18
• IUPAC Name: 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
• SMILES: Cc1nc2ccc(F)cn2c(=O)c1CN1CCN(C=O)CC12CCCC2
• InChI: InChI=1S/C19H23FN4O2/c1-14-16(18(26)24-10-15(20)4-5-17(24)21-14)11-23-9-8-22(13-25)12-19(23)6-2-3-7-19/h4-5,10,13H,2-3,6-9,11-12H2,1H3
• InChIKey: RCXFBEZYVXKXJW-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 57.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.42
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde (CID 176681641) is 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde.

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

The canonical SMILES for 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde is Cc1nc2ccc(F)cn2c(=O)c1CN1CCN(C=O)CC12CCCC2.

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

The InChIKey is RCXFBEZYVXKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14-16(18(26)24-10-15(20)4-5-17(24)21-14)11-23-9-8-22(13-25)12-19(23)6-2-3-7-19/h4-5,10,13H,2-3,6-9,11-12H2,1H3.

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

6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde has a molecular weight of 358.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(7-fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde is sourced from PubChem (CID 176681641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).