N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide

C24H26N6O2 — CID 53090783

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12
InChIInChI=1S/C24H26N6O2/c1-16-23-22(17(2)30(27-23)20-8-6-5-7-9-20)24(32)29(26-16)15-21(31)25-14-18-10-12-19(13-11-18)28(3)4/h5-13H,14-15H2,1-4H3,(H,25,31)
InChIKeyDWRFEXKTGXJACM-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.58
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide (PubChem CID 53090783) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
PubChem CID53090783
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12
InChIInChI=1S/C24H26N6O2/c1-16-23-22(17(2)30(27-23)20-8-6-5-7-9-20)24(32)29(26-16)15-21(31)25-14-18-10-12-19(13-11-18)28(3)4/h5-13H,14-15H2,1-4H3,(H,25,31)
InChIKeyDWRFEXKTGXJACM-UHFFFAOYSA-N
XLogP2.58
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 53090734
N-butan-2-yl-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 46355251
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074941
N-[3-(azepan-1-yl)butyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 53090788
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610
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
N-benzyl-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 53090797
N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 46350170
2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxopyrazolo[3,4-d]pyridazin-5-yl]acetic acid
CID 53213836
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95074940
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide (CID 53090783) is N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?
The InChIKey is DWRFEXKTGXJACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-23-22(17(2)30(27-23)20-8-6-5-7-9-20)24(32)29(26-16)15-21(31)25-14-18-10-12-19(13-11-18)28(3)4/h5-13H,14-15H2,1-4H3,(H,25,31).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 53090783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).