N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide

C23H29N5O2S — CID 20876655

IUPACN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)Cn3ncc4ccsc4c3=O)CC2)c1
InChIInChI=1S/C23H29N5O2S/c1-17-4-5-18(2)20(14-17)27-11-9-26(10-12-27)8-3-7-24-21(29)16-28-23(30)22-19(15-25-28)6-13-31-22/h4-6,13-15H,3,7-12,16H2,1-2H3,(H,24,29)
InChIKeyXLTXRNIMKUFSGM-UHFFFAOYSA-N
MW439.59 g/mol
LogP2.40
Rot. Bonds7

About N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide

N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide (PubChem CID 20876655) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
PubChem CID20876655
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)Cn3ncc4ccsc4c3=O)CC2)c1
InChIInChI=1S/C23H29N5O2S/c1-17-4-5-18(2)20(14-17)27-11-9-26(10-12-27)8-3-7-24-21(29)16-28-23(30)22-19(15-25-28)6-13-31-22/h4-6,13-15H,3,7-12,16H2,1-2H3,(H,24,29)
InChIKeyXLTXRNIMKUFSGM-UHFFFAOYSA-N
XLogP2.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884276
N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
CID 20876646
6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one
CID 15718352
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884265
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307927
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22512957
2-[3-[2-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-6-fluoro-4-oxophthalazin-1-yl]-N-ethylacetamide
CID 66548244
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
N-[3-(azepan-1-yl)propyl]-2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 6620359
(3R,4S)-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(2-methoxyethyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 98224555
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
2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 20892039

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide (CID 20876655) is N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide is Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3ncc4ccsc4c3=O)CC2)c1.
What is the InChIKey of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The InChIKey is XLTXRNIMKUFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-17-4-5-18(2)20(14-17)27-11-9-26(10-12-27)8-3-7-24-21(29)16-28-23(30)22-19(15-25-28)6-13-31-22/h4-6,13-15H,3,7-12,16H2,1-2H3,(H,24,29).
What are the key properties of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide has a molecular weight of 439.59 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 20876655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).