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

C18H24N4O — CID 119933495

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCNCC23CCCCC3)nc2ccccn12
InChIInChI=1S/C18H24N4O/c23-17-12-15(20-16-6-2-5-10-22(16)17)13-21-11-9-19-14-18(21)7-3-1-4-8-18/h2,5-6,10,12,19H,1,3-4,7-9,11,13-14H2
InChIKeyYGFMZLJCPGHCOD-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.80
Rot. Bonds2

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

2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 119933495) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID119933495
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCNCC23CCCCC3)nc2ccccn12
InChIInChI=1S/C18H24N4O/c23-17-12-15(20-16-6-2-5-10-22(16)17)13-21-11-9-19-14-18(21)7-3-1-4-8-18/h2,5-6,10,12,19H,1,3-4,7-9,11,13-14H2
InChIKeyYGFMZLJCPGHCOD-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-diazaspiro[5.5]undecan-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 119933495) is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCNCC23CCCCC3)nc2ccccn12.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YGFMZLJCPGHCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-17-12-15(20-16-6-2-5-10-22(16)17)13-21-11-9-19-14-18(21)7-3-1-4-8-18/h2,5-6,10,12,19H,1,3-4,7-9,11,13-14H2.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119933495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).