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

C20H23ClN4O2 — CID 23601687

IUPAC2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ncc2c(C)n(Cc3cccc(Cl)c3)c(C)c2c1=O
InChIInChI=1S/C20H23ClN4O2/c1-4-8-22-18(26)12-25-20(27)19-14(3)24(13(2)17(19)10-23-25)11-15-6-5-7-16(21)9-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,22,26)
InChIKeyPUFVWTFPKKCVAX-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.04
Rot. Bonds6

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

2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide (PubChem CID 23601687) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide
PubChem CID23601687
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ncc2c(C)n(Cc3cccc(Cl)c3)c(C)c2c1=O
InChIInChI=1S/C20H23ClN4O2/c1-4-8-22-18(26)12-25-20(27)19-14(3)24(13(2)17(19)10-23-25)11-15-6-5-7-16(21)9-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,22,26)
InChIKeyPUFVWTFPKKCVAX-UHFFFAOYSA-N
XLogP3.04
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.04
H-Bond Donors ≤ 51
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
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(3-methylbutyl)acetamide
CID 23601384
2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(3-phenylpropyl)acetamide
CID 23601624
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23601377
N-benzyl-2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892257
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-methylacetamide
CID 20892279
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
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-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601439
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2-methoxyethyl)acetamide
CID 23601551
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
2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 6620213

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide (CID 23601687) is 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide is CCCNC(=O)Cn1ncc2c(C)n(Cc3cccc(Cl)c3)c(C)c2c1=O.
What is the InChIKey of 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide?
The InChIKey is PUFVWTFPKKCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-4-8-22-18(26)12-25-20(27)19-14(3)24(13(2)17(19)10-23-25)11-15-6-5-7-16(21)9-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,22,26).
What are the key properties of 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide?
2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide has a molecular weight of 386.88 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-propylacetamide is sourced from PubChem (CID 23601687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).