3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one

C19H27N5O2 — CID 154926893

IUPAC3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(-c3cnn(C)c3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C19H27N5O2/c1-22-8-7-19(26,18(12-22)5-3-4-6-18)13-24-14-20-16(9-17(24)25)15-10-21-23(2)11-15/h9-11,14,26H,3-8,12-13H2,1-2H3
InChIKeyYHVYXMJARHZOKF-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.27
Rot. Bonds3

About 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one

3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one (PubChem CID 154926893) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
PubChem CID154926893
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(-c3cnn(C)c3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C19H27N5O2/c1-22-8-7-19(26,18(12-22)5-3-4-6-18)13-24-14-20-16(9-17(24)25)15-10-21-23(2)11-15/h9-11,14,26H,3-8,12-13H2,1-2H3
InChIKeyYHVYXMJARHZOKF-UHFFFAOYSA-N
XLogP1.27
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)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-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 139375447
3-[[7-(5-azaspiro[2.5]octane-5-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627496
6-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]pyrido[4,3-d]pyrimidin-5-one
CID 139375812
10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 153332360
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
3-[[7-[(2S,4S)-4-amino-2-phenylpiperidine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627595
3-[(4-hydroxy-3,3-dimethylpiperidin-4-yl)methyl]-6-phenylpyrimidin-4-one
CID 139347168
3-(3-fluorophenyl)-4-[10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]piperazine-1-carboxylic acid
CID 139370474
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one
CID 134218664
3-[[(10S)-10-hydroxy-7-(2-thiophen-2-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146670925
3-[[(10S)-7-[2-(3,4-difluorophenyl)piperazine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627507
3-[[(10S)-7-[(3R)-3-(2,5-difluorophenyl)thiomorpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627501

Frequently Asked Questions

What is the IUPAC name of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
The IUPAC name of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one (CID 154926893) is 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
The canonical SMILES for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one is CN1CCC(O)(Cn2cnc(-c3cnn(C)c3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
The InChIKey is YHVYXMJARHZOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22-8-7-19(26,18(12-22)5-3-4-6-18)13-24-14-20-16(9-17(24)25)15-10-21-23(2)11-15/h9-11,14,26H,3-8,12-13H2,1-2H3.
What are the key properties of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one has a molecular weight of 357.46 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one is sourced from PubChem (CID 154926893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).