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

C23H28ClN3O3 — CID 157339146

IUPAC6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C23H28ClN3O3/c24-19-14-21(29)27(17-25-19)16-23(30)12-13-26(15-22(23)10-4-5-11-22)20(28)9-8-18-6-2-1-3-7-18/h1-3,6-7,14,17,30H,4-5,8-13,15-16H2
InChIKeyBGEPKTMMIDHVCK-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.05
Rot. Bonds5

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

6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one (PubChem CID 157339146) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
PubChem CID157339146
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C23H28ClN3O3/c24-19-14-21(29)27(17-25-19)16-23(30)12-13-26(15-22(23)10-4-5-11-22)20(28)9-8-18-6-2-1-3-7-18/h1-3,6-7,14,17,30H,4-5,8-13,15-16H2
InChIKeyBGEPKTMMIDHVCK-UHFFFAOYSA-N
XLogP3.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]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

4-[10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139370605
10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
CID 139369941
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
tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
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
N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 155682818
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 134451443
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
CID 134451237
7-chloro-3-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 167256111
1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218904
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 167160618

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one (CID 157339146) is 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one is O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
The InChIKey is BGEPKTMMIDHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c24-19-14-21(29)27(17-25-19)16-23(30)12-13-26(15-22(23)10-4-5-11-22)20(28)9-8-18-6-2-1-3-7-18/h1-3,6-7,14,17,30H,4-5,8-13,15-16H2.
What are the key properties of 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one has a molecular weight of 429.95 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 157339146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).