3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

C18H23FN4O — CID 176681935

IUPAC3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCCC3)cnc2ccc(F)cn12
InChIInChI=1S/C18H23FN4O/c19-15-4-5-16-21-10-14(17(24)23(16)12-15)11-22-9-8-20-13-18(22)6-2-1-3-7-18/h4-5,10,12,20H,1-3,6-9,11,13H2
InChIKeyOFFANBIZMZDZDD-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.94
Rot. Bonds2

About 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681935) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID176681935
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCCC3)cnc2ccc(F)cn12
InChIInChI=1S/C18H23FN4O/c19-15-4-5-16-21-10-14(17(24)23(16)12-15)11-22-9-8-20-13-18(22)6-2-1-3-7-18/h4-5,10,12,20H,1-3,6-9,11,13H2
InChIKeyOFFANBIZMZDZDD-UHFFFAOYSA-N
XLogP1.94
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 4826064
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681608
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681614
3-(6,9-Diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681653
6-[(7-Fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbonyl chloride
CID 176681781
3-[(2,2-Dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681826
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681889
7-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681674
9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46979181
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681616
7-Chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681629
7-Bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681649

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 176681935) is 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCCC3)cnc2ccc(F)cn12.
What is the InChIKey of 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OFFANBIZMZDZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-15-4-5-16-21-10-14(17(24)23(16)12-15)11-22-9-8-20-13-18(22)6-2-1-3-7-18/h4-5,10,12,20H,1-3,6-9,11,13H2.
What are the key properties of 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).