6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

C22H25ClN4O3 — CID 146465032

IUPAC6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(c3cc[nH]c(=O)c3)C2)C1=O
InChIInChI=1S/C22H25ClN4O3/c1-15(2)26-13-20(29)27(12-16-3-5-17(23)6-4-16)22(21(26)30)8-10-25(14-22)18-7-9-24-19(28)11-18/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,24,28)
InChIKeyRLNUJSOYWTYRGP-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.26
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (PubChem CID 146465032) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
PubChem CID146465032
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(c3cc[nH]c(=O)c3)C2)C1=O
InChIInChI=1S/C22H25ClN4O3/c1-15(2)26-13-20(29)27(12-16-3-5-17(23)6-4-16)22(21(26)30)8-10-25(14-22)18-7-9-24-19(28)11-18/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,24,28)
InChIKeyRLNUJSOYWTYRGP-UHFFFAOYSA-N
XLogP2.26
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 161375306
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146465606
5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146465481
6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146492953
N-ethyl-7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 146465050
5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146493171
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
CID 146425889
methyl 7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146465442
6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 167201518
5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 167617105
6-[(4-chlorophenyl)methyl]-N-methyl-9-(4-nitrophenyl)-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide;6-[(4-chlorophenyl)methyl]-9-(4-nitrophenyl)-2,6,9-triazaspiro[4.5]decane-7,10-dione;methylimino(oxo)methane
CID 161430316
methyl (5S)-6-[(4-chlorophenyl)methyl]-9-(4-cyano-2-fluorophenyl)-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146435048

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (CID 146465032) is 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is CC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(c3cc[nH]c(=O)c3)C2)C1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The InChIKey is RLNUJSOYWTYRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-15(2)26-13-20(29)27(12-16-3-5-17(23)6-4-16)22(21(26)30)8-10-25(14-22)18-7-9-24-19(28)11-18/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,24,28).
What are the key properties of 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione has a molecular weight of 428.92 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 146465032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).