4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide

C23H22N4O3 — CID 170983217

IUPAC4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2ncc3c(C)n(-c4cccc(OC)c4)c(C)c3c2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-14-20-13-25-27(17-10-8-16(9-11-17)22(28)24-3)23(29)21(20)15(2)26(14)18-6-5-7-19(12-18)30-4/h5-13H,1-4H3,(H,24,28)
InChIKeyBZTLPRSTXWVJOP-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.16
Rot. Bonds4

About 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide

4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide (PubChem CID 170983217) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide
PubChem CID170983217
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2ncc3c(C)n(-c4cccc(OC)c4)c(C)c3c2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-14-20-13-25-27(17-10-8-16(9-11-17)22(28)24-3)23(29)21(20)15(2)26(14)18-6-5-7-19(12-18)30-4/h5-13H,1-4H3,(H,24,28)
InChIKeyBZTLPRSTXWVJOP-UHFFFAOYSA-N
XLogP3.16
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
CID 171059481
3-[3-(hydroxymethyl)phenyl]-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126511
6-(3-methoxyphenyl)-3-(6-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983377
3-(5-tert-butyl-2-pyridinyl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983355
3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126762
N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide
CID 170983230
4-[3-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-6-yl]butanoic acid
CID 53212757
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303
6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983305
6-[3-(azetidin-1-yl)phenyl]-3-(4-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983373
3-[6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
CID 170983231
6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(4-piperazin-1-ylphenyl)pyrrolo[3,4-d]pyridazin-4-one
CID 170983312

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide (CID 170983217) is 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-n2ncc3c(C)n(-c4cccc(OC)c4)c(C)c3c2=O)cc1.
What is the InChIKey of 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide?
The InChIKey is BZTLPRSTXWVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-20-13-25-27(17-10-8-16(9-11-17)22(28)24-3)23(29)21(20)15(2)26(14)18-6-5-7-19(12-18)30-4/h5-13H,1-4H3,(H,24,28).
What are the key properties of 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide?
4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 170983217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).