3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

C17H19FN4O — CID 176681653

IUPAC3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CC=CC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H19FN4O/c18-14-3-4-15-20-9-13(16(23)22(15)11-14)10-21-8-7-19-12-17(21)5-1-2-6-17/h1-4,9,11,19H,5-8,10,12H2
InChIKeyKGLPTOJUGBSLBX-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.33
Rot. Bonds2

About 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681653) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID176681653
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CC=CC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H19FN4O/c18-14-3-4-15-20-9-13(16(23)22(15)11-14)10-21-8-7-19-12-17(21)5-1-2-6-17/h1-4,9,11,19H,5-8,10,12H2
InChIKeyKGLPTOJUGBSLBX-UHFFFAOYSA-N
XLogP1.33
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511416
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681614
Tert-butyl 6-[(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]dec-2-ene-9-carboxylate
CID 176681671
3-[(2,2-Dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681826
2-Cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681847
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681889
3-(1,4-Diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681935
7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99792545
7-methyl-4-oxo-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99792546
7-methyl-4-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 102562576
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120813730
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120813731

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 176681653) is 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CC=CC3)cnc2ccc(F)cn12.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KGLPTOJUGBSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-3-4-15-20-9-13(16(23)22(15)11-14)10-21-8-7-19-12-17(21)5-1-2-6-17/h1-4,9,11,19H,5-8,10,12H2.
What are the key properties of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.36 g/mol, XLogP of 1.33, 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]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).