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

C17H22N4O — CID 176681765

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2ccccn12
InChIInChI=1S/C17H22N4O/c22-16-14(11-19-15-5-1-4-9-21(15)16)12-20-10-8-18-13-17(20)6-2-3-7-17/h1,4-5,9,11,18H,2-3,6-8,10,12-13H2
InChIKeyCRHAFTFLKUHDHI-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.41
Rot. Bonds2

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681765) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681765
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2ccccn12
InChIInChI=1S/C17H22N4O/c22-16-14(11-19-15-5-1-4-9-21(15)16)12-20-10-8-18-13-17(20)6-2-3-7-17/h1,4-5,9,11,18H,2-3,6-8,10,12-13H2
InChIKeyCRHAFTFLKUHDHI-UHFFFAOYSA-N
XLogP1.41
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-[(7-Fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbonyl chloride
CID 176681781
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-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681674
3-[3-(2-Oxoimidazolidin-1-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56800022
N-{3-[4-(aminocarbonyl)piperidin-1-yl]propyl}-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 131895160
N-(2-methylcyclopentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 19789644
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681616

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 176681765) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)cnc2ccccn12.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CRHAFTFLKUHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-16-14(11-19-15-5-1-4-9-21(15)16)12-20-10-8-18-13-17(20)6-2-3-7-17/h1,4-5,9,11,18H,2-3,6-8,10,12-13H2.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 298.39 g/mol, XLogP of 1.41, 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)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).