3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one

C21H25N5O2 — CID 20919763

IUPAC3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCCC(C(=O)N1CCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C21H25N5O2/c1-4-17(20(27)24-12-8-9-13-24)26-21(28)19-18(14(2)22-26)15(3)25(23-19)16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3
InChIKeyOZOIIBIWFANVPK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds4

About 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 20919763) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID20919763
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCCC(C(=O)N1CCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C21H25N5O2/c1-4-17(20(27)24-12-8-9-13-24)26-21(28)19-18(14(2)22-26)15(3)25(23-19)16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3
InChIKeyOZOIIBIWFANVPK-UHFFFAOYSA-N
XLogP2.77
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-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

N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
3-methyl-N-(4-methylbenzyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015294
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5343126
3-Ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 23102
TLX agonist 1
CID 2738508
CP-220629
CID 9949129
6-Benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10496166
3-Ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10807715
1-Cyclopentyl-3-ethyl-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10828701
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-(2-phenylethyl)butanamide
CID 16022670

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one (CID 20919763) is 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one is CCC(C(=O)N1CCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O.
What is the InChIKey of 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is OZOIIBIWFANVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-17(20(27)24-12-8-9-13-24)26-21(28)19-18(14(2)22-26)15(3)25(23-19)16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3.
What are the key properties of 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 379.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 20919763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).