6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione

C22H23ClN4O3 — CID 146425889

IUPAC6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CC(=O)N(c3ccccn3)C2)C1=O
InChIInChI=1S/C22H23ClN4O3/c1-15(2)25-13-20(29)27(12-16-6-8-17(23)9-7-16)22(21(25)30)11-19(28)26(14-22)18-5-3-4-10-24-18/h3-10,15H,11-14H2,1-2H3
InChIKeyWRAHBLQFQHUYDH-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.49
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione

6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione (PubChem CID 146425889) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
PubChem CID146425889
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CC(=O)N(c3ccccn3)C2)C1=O
InChIInChI=1S/C22H23ClN4O3/c1-15(2)25-13-20(29)27(12-16-6-8-17(23)9-7-16)22(21(25)30)11-19(28)26(14-22)18-5-3-4-10-24-18/h3-10,15H,11-14H2,1-2H3
InChIKeyWRAHBLQFQHUYDH-UHFFFAOYSA-N
XLogP2.49
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146465606
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
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]-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
3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 135057308
N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
CID 146074522
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
methyl 7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146465442
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
(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846260
3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one
CID 20820538

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
The IUPAC name of 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) is 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione is CC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CC(=O)N(c3ccccn3)C2)C1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
The InChIKey is WRAHBLQFQHUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-15(2)25-13-20(29)27(12-16-6-8-17(23)9-7-16)22(21(25)30)11-19(28)26(14-22)18-5-3-4-10-24-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione has a molecular weight of 426.90 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione is sourced from PubChem (CID 146425889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).