1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid

C32H26N2O3 — CID 132562722

IUPAC1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid
SMILESCC1=NN(c2ccccc2)C(=O)C12C(C(=O)O)=CCC(c1ccccc1)C2c1ccc2ccccc2c1
InChIInChI=1S/C32H26N2O3/c1-21-32(31(37)34(33-21)26-14-6-3-7-15-26)28(30(35)36)19-18-27(23-11-4-2-5-12-23)29(32)25-17-16-22-10-8-9-13-24(22)20-25/h2-17,19-20,27,29H,18H2,1H3,(H,35,36)
InChIKeyIUIANQXOGXXFMA-UHFFFAOYSA-N
MW486.57 g/mol
LogP6.53
Rot. Bonds4

About 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid

1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid (PubChem CID 132562722) has the molecular formula C32H26N2O3 and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid
PubChem CID132562722
Molecular FormulaC32H26N2O3
Molecular Weight486.57 g/mol
Exact Mass486.19
IUPAC Name1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid
SMILESCC1=NN(c2ccccc2)C(=O)C12C(C(=O)O)=CCC(c1ccccc1)C2c1ccc2ccccc2c1
InChIInChI=1S/C32H26N2O3/c1-21-32(31(37)34(33-21)26-14-6-3-7-15-26)28(30(35)36)19-18-27(23-11-4-2-5-12-23)29(32)25-17-16-22-10-8-9-13-24(22)20-25/h2-17,19-20,27,29H,18H2,1H3,(H,35,36)
InChIKeyIUIANQXOGXXFMA-UHFFFAOYSA-N
XLogP6.53
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid 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

(5S,6S)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234903
(5R,6R)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234906
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
(5S,6R,8S,9S,10S)-8-(4-chlorophenyl)-6-hydroxy-1,6-dimethyl-9-nitro-3,10-diphenyl-2,3-diazaspiro[4.5]dec-1-en-4-one
CID 132532313
(5S,6R)-1,7-dimethyl-3,9-diphenyl-11-oxa-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,7-diene-4,10-dione
CID 27234921
(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 68654438
ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 170722092
(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
CID 122222249
ethyl (4R,5R,6R)-1'-acetyl-2'-oxo-5-phenyl-4-[4-(trifluoromethyl)phenyl]spiro[cyclohexene-6,3'-indole]-1-carboxylate
CID 102527170
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid?
The IUPAC name of 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid (CID 132562722) is 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid.
What is the SMILES notation for 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid?
The canonical SMILES for 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid is CC1=NN(c2ccccc2)C(=O)C12C(C(=O)O)=CCC(c1ccccc1)C2c1ccc2ccccc2c1.
What is the InChIKey of 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid?
The InChIKey is IUIANQXOGXXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3/c1-21-32(31(37)34(33-21)26-14-6-3-7-15-26)28(30(35)36)19-18-27(23-11-4-2-5-12-23)29(32)25-17-16-22-10-8-9-13-24(22)20-25/h2-17,19-20,27,29H,18H2,1H3,(H,35,36).
What are the key properties of 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid?
1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid has a molecular weight of 486.57 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10-naphthalen-2-yl-4-oxo-3,9-diphenyl-2,3-diazaspiro[4.5]deca-1,6-diene-6-carboxylic acid is sourced from PubChem (CID 132562722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).