2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

C24H31N5O4 — CID 95064721

IUPAC2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESCOc1ccc(-c2nn(CC(=O)NCCCN3CCCC[C@@H]3C)c(=O)c3noc(C)c23)cc1
InChIInChI=1S/C24H31N5O4/c1-16-7-4-5-13-28(16)14-6-12-25-20(30)15-29-24(31)23-21(17(2)33-27-23)22(26-29)18-8-10-19(32-3)11-9-18/h8-11,16H,4-7,12-15H2,1-3H3,(H,25,30)/t16-/m0/s1
InChIKeyRQVRKDJDXPQHMM-INIZCTEOSA-N
MW453.54 g/mol
LogP2.75
Rot. Bonds8

About 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 95064721) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
PubChem CID95064721
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESCOc1ccc(-c2nn(CC(=O)NCCCN3CCCC[C@@H]3C)c(=O)c3noc(C)c23)cc1
InChIInChI=1S/C24H31N5O4/c1-16-7-4-5-13-28(16)14-6-12-25-20(30)15-29-24(31)23-21(17(2)33-27-23)22(26-29)18-8-10-19(32-3)11-9-18/h8-11,16H,4-7,12-15H2,1-3H3,(H,25,30)/t16-/m0/s1
InChIKeyRQVRKDJDXPQHMM-INIZCTEOSA-N
XLogP2.75
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide 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

2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056462
N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetamide
CID 53056458
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056304
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 95074952
3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3921489
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40884901
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92715204
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 92877394
2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 23601654
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
N-(2-methoxyethyl)-2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (CID 95064721) is 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is COc1ccc(-c2nn(CC(=O)NCCCN3CCCC[C@@H]3C)c(=O)c3noc(C)c23)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is RQVRKDJDXPQHMM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-16-7-4-5-13-28(16)14-6-12-25-20(30)15-29-24(31)23-21(17(2)33-27-23)22(26-29)18-8-10-19(32-3)11-9-18/h8-11,16H,4-7,12-15H2,1-3H3,(H,25,30)/t16-/m0/s1.
What are the key properties of 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 95064721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).