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

C19H21N5O2 — CID 20919651

IUPAC3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C19H21N5O2/c1-13-17-14(2)24(15-8-4-3-5-9-15)21-18(17)19(26)23(20-13)12-16(25)22-10-6-7-11-22/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyFFOJTOPGBNHXBK-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.82
Rot. Bonds3

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

3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 20919651) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID20919651
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C19H21N5O2/c1-13-17-14(2)24(15-8-4-3-5-9-15)21-18(17)19(26)23(20-13)12-16(25)22-10-6-7-11-22/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyFFOJTOPGBNHXBK-UHFFFAOYSA-N
XLogP1.82
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one (CID 20919651) is 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one is Cc1nn(CC(=O)N2CCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is FFOJTOPGBNHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-17-14(2)24(15-8-4-3-5-9-15)21-18(17)19(26)23(20-13)12-16(25)22-10-6-7-11-22/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 351.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 20919651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).