3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one

C26H30N4O2 — CID 155754353

IUPAC3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=c1cc(-c2cccnc2)ncn1CC1(O)CCN(Cc2ccccc2)CC12CCCC2
InChIInChI=1S/C26H30N4O2/c31-24-15-23(22-9-6-13-27-16-22)28-20-30(24)19-26(32)12-14-29(17-21-7-2-1-3-8-21)18-25(26)10-4-5-11-25/h1-3,6-9,13,15-16,20,32H,4-5,10-12,14,17-19H2
InChIKeyJAXHVZZRYXWDJJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.50
Rot. Bonds5

About 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one

3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 155754353) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID155754353
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=c1cc(-c2cccnc2)ncn1CC1(O)CCN(Cc2ccccc2)CC12CCCC2
InChIInChI=1S/C26H30N4O2/c31-24-15-23(22-9-6-13-27-16-22)28-20-30(24)19-26(32)12-14-29(17-21-7-2-1-3-8-21)18-25(26)10-4-5-11-25/h1-3,6-9,13,15-16,20,32H,4-5,10-12,14,17-19H2
InChIKeyJAXHVZZRYXWDJJ-UHFFFAOYSA-N
XLogP3.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-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 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 155754353) is 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one is O=c1cc(-c2cccnc2)ncn1CC1(O)CCN(Cc2ccccc2)CC12CCCC2.
What is the InChIKey of 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is JAXHVZZRYXWDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-24-15-23(22-9-6-13-27-16-22)28-20-30(24)19-26(32)12-14-29(17-21-7-2-1-3-8-21)18-25(26)10-4-5-11-25/h1-3,6-9,13,15-16,20,32H,4-5,10-12,14,17-19H2.
What are the key properties of 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 430.55 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-benzyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 155754353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).