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

C18H24N4O — CID 176681616

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(CN3CCNCC34CCCC4)c(=O)n2c1
InChIInChI=1S/C18H24N4O/c1-14-4-5-16-20-10-15(17(23)22(16)11-14)12-21-9-8-19-13-18(21)6-2-3-7-18/h4-5,10-11,19H,2-3,6-9,12-13H2,1H3
InChIKeyBSIHAAUWTSMLIU-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.72
Rot. Bonds2

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681616) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID176681616
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(CN3CCNCC34CCCC4)c(=O)n2c1
InChIInChI=1S/C18H24N4O/c1-14-4-5-16-20-10-15(17(23)22(16)11-14)12-21-9-8-19-13-18(21)6-2-3-7-18/h4-5,10-11,19H,2-3,6-9,12-13H2,1H3
InChIKeyBSIHAAUWTSMLIU-UHFFFAOYSA-N
XLogP1.72
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.72
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]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
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-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 132972282
7-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681567
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-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 176681616) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(CN3CCNCC34CCCC4)c(=O)n2c1.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BSIHAAUWTSMLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-4-5-16-20-10-15(17(23)22(16)11-14)12-21-9-8-19-13-18(21)6-2-3-7-18/h4-5,10-11,19H,2-3,6-9,12-13H2,1H3.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 1.72, 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-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).