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

C18H20F4N4O — CID 176681608

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681608) has the molecular formula C18H20F4N4O and a molecular weight of 384.38 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 176681608
• Molecular Formula: C18H20F4N4O
• Molecular Weight: 384.38 g/mol
• Exact Mass: 384.16
• IUPAC Name: 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: O=c1c(CN2CCNCC23CCCC3)c(C(F)(F)F)nc2ccc(F)cn12
• InChI: InChI=1S/C18H20F4N4O/c19-12-3-4-14-24-15(18(20,21)22)13(16(27)26(14)9-12)10-25-8-7-23-11-17(25)5-1-2-6-17/h3-4,9,23H,1-2,5-8,10-11H2
• InChIKey: YTUDJWWJLDUUKU-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.38
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 176681608) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

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

The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)c(C(F)(F)F)nc2ccc(F)cn12.

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

The InChIKey is YTUDJWWJLDUUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O/c19-12-3-4-14-24-15(18(20,21)22)13(16(27)26(14)9-12)10-25-8-7-23-11-17(25)5-1-2-6-17/h3-4,9,23H,1-2,5-8,10-11H2.

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 384.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).