N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

C22H27ClN6O3 — CID 53056319

IUPACN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2nc(C)c3c(C)onc3c2=O)CC1
InChIInChI=1S/C22H27ClN6O3/c1-14-4-5-17(23)12-18(14)28-10-8-27(9-11-28)7-6-24-19(30)13-29-22(31)21-20(15(2)25-29)16(3)32-26-21/h4-5,12H,6-11,13H2,1-3H3,(H,24,30)
InChIKeyMPZDUGQCBFOBTL-UHFFFAOYSA-N
MW458.95 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (PubChem CID 53056319) has the molecular formula C22H27ClN6O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
PubChem CID53056319
Molecular FormulaC22H27ClN6O3
Molecular Weight458.95 g/mol
Exact Mass458.18
IUPAC NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2nc(C)c3c(C)onc3c2=O)CC1
InChIInChI=1S/C22H27ClN6O3/c1-14-4-5-17(23)12-18(14)28-10-8-27(9-11-28)7-6-24-19(30)13-29-22(31)21-20(15(2)25-29)16(3)32-26-21/h4-5,12H,6-11,13H2,1-3H3,(H,24,30)
InChIKeyMPZDUGQCBFOBTL-UHFFFAOYSA-N
XLogP1.90
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)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

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
CID 71686527
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 53056326
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892341
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 53056321
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53056524
2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 20889265
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-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 53056329
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 53056293
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanamide
CID 71686549

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (CID 53056319) is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2nc(C)c3c(C)onc3c2=O)CC1.
What is the InChIKey of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The InChIKey is MPZDUGQCBFOBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O3/c1-14-4-5-17(23)12-18(14)28-10-8-27(9-11-28)7-6-24-19(30)13-29-22(31)21-20(15(2)25-29)16(3)32-26-21/h4-5,12H,6-11,13H2,1-3H3,(H,24,30).
What are the key properties of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide has a molecular weight of 458.95 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 53056319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).