2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide

C22H28N4O2 — CID 126458668

IUPAC2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O
InChIInChI=1S/C22H28N4O2/c1-6-24(7-2)20(27)14-26-22(28)21-17(5)25(16(4)19(21)12-23-26)13-18-10-8-15(3)9-11-18/h8-12H,6-7,13-14H2,1-5H3
InChIKeyGOKFLDZGLNCGIV-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.04
Rot. Bonds6

About 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide

2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide (PubChem CID 126458668) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide
PubChem CID126458668
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O
InChIInChI=1S/C22H28N4O2/c1-6-24(7-2)20(27)14-26-22(28)21-17(5)25(16(4)19(21)12-23-26)13-18-10-8-15(3)9-11-18/h8-12H,6-7,13-14H2,1-5H3
InChIKeyGOKFLDZGLNCGIV-UHFFFAOYSA-N
XLogP3.04
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 23601381
N-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601439
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
2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 23601358
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
CID 23601411
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23601530
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(3-methylbutyl)acetamide
CID 23601384
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23601377
2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide
CID 23601687
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601445
N-(3-chloro-2-methylphenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601447
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 93168294

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide (CID 126458668) is 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O.
What is the InChIKey of 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide?
The InChIKey is GOKFLDZGLNCGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-6-24(7-2)20(27)14-26-22(28)21-17(5)25(16(4)19(21)12-23-26)13-18-10-8-15(3)9-11-18/h8-12H,6-7,13-14H2,1-5H3.
What are the key properties of 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide?
2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 126458668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).