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

C17H21FN4O — CID 176681614

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H21FN4O/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/h3-4,9,11,19H,1-2,5-8,10,12H2
InChIKeyFXTKUJTVBGAOBI-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.55
Rot. Bonds2

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681614) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID176681614
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H21FN4O/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/h3-4,9,11,19H,1-2,5-8,10,12H2
InChIKeyFXTKUJTVBGAOBI-UHFFFAOYSA-N
XLogP1.55
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]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
7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681804
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
Tert-butyl 6-[(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681870
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-fluoro-3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681970
6-[(7-Fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
CID 176681641
7-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681674

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 176681614) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)cnc2ccc(F)cn12.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FXTKUJTVBGAOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/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/h3-4,9,11,19H,1-2,5-8,10,12H2.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 316.38 g/mol, XLogP of 1.55, 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-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).