6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one

C27H30N6O2 — CID 42644421

IUPAC6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1ccc(C)c(N2CCN(C(=O)Cn3nc(C)c4c(C)n(-c5ccccc5)nc4c3=O)CC2)c1
InChIInChI=1S/C27H30N6O2/c1-18-10-11-19(2)23(16-18)30-12-14-31(15-13-30)24(34)17-32-27(35)26-25(20(3)28-32)21(4)33(29-26)22-8-6-5-7-9-22/h5-11,16H,12-15,17H2,1-4H3
InChIKeyYEAZXSYLLVZBFI-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.16
Rot. Bonds4

About 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one

6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 42644421) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID42644421
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1ccc(C)c(N2CCN(C(=O)Cn3nc(C)c4c(C)n(-c5ccccc5)nc4c3=O)CC2)c1
InChIInChI=1S/C27H30N6O2/c1-18-10-11-19(2)23(16-18)30-12-14-31(15-13-30)24(34)17-32-27(35)26-25(20(3)28-32)21(4)33(29-26)22-8-6-5-7-9-22/h5-11,16H,12-15,17H2,1-4H3
InChIKeyYEAZXSYLLVZBFI-UHFFFAOYSA-N
XLogP3.16
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one 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

3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653
6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919658
ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetyl]piperidine-4-carboxylate
CID 53090714
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone
CID 4206419
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92505482
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610
3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
CID 46279408
4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)butanamide
CID 20919794
2-[3,4-dimethyl-7-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 75465207

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one (CID 42644421) is 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one is Cc1ccc(C)c(N2CCN(C(=O)Cn3nc(C)c4c(C)n(-c5ccccc5)nc4c3=O)CC2)c1.
What is the InChIKey of 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is YEAZXSYLLVZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18-10-11-19(2)23(16-18)30-12-14-31(15-13-30)24(34)17-32-27(35)26-25(20(3)28-32)21(4)33(29-26)22-8-6-5-7-9-22/h5-11,16H,12-15,17H2,1-4H3.
What are the key properties of 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 470.58 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 42644421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).