3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one

C20H20N4O2 — CID 166126762

IUPAC3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
SMILESCOc1cccc(-n2c(C)c3cnn(C4=NCCC=C4)c(=O)c3c2C)c1
InChIInChI=1S/C20H20N4O2/c1-13-17-12-22-24(18-9-4-5-10-21-18)20(25)19(17)14(2)23(13)15-7-6-8-16(11-15)26-3/h4,6-9,11-12H,5,10H2,1-3H3
InChIKeyVUKSPBPGKUGXBY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds2

About 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one

3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 166126762) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID166126762
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
SMILESCOc1cccc(-n2c(C)c3cnn(C4=NCCC=C4)c(=O)c3c2C)c1
InChIInChI=1S/C20H20N4O2/c1-13-17-12-22-24(18-9-4-5-10-21-18)20(25)19(17)14(2)23(13)15-7-6-8-16(11-15)26-3/h4,6-9,11-12H,5,10H2,1-3H3
InChIKeyVUKSPBPGKUGXBY-UHFFFAOYSA-N
XLogP3.02
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxyphenyl)-3-(6-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983377
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
3-(5-tert-butyl-2-pyridinyl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983355
4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide
CID 170983217
6-[3-(azetidin-1-yl)phenyl]-3-(4-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983373
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303
4-[3-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-6-yl]butanoic acid
CID 53212757
6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(4-piperazin-1-ylphenyl)pyrrolo[3,4-d]pyridazin-4-one
CID 170983312
5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 170983335
6-[3-(azetidin-1-yl)phenyl]-3-(5-fluoro-3,4-dihydropyridin-6-yl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126756
6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(1,3-thiazol-2-yl)pyrrolo[3,4-d]pyridazin-4-one
CID 170983353

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one (CID 166126762) is 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one is COc1cccc(-n2c(C)c3cnn(C4=NCCC=C4)c(=O)c3c2C)c1.
What is the InChIKey of 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is VUKSPBPGKUGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-17-12-22-24(18-9-4-5-10-21-18)20(25)19(17)14(2)23(13)15-7-6-8-16(11-15)26-3/h4,6-9,11-12H,5,10H2,1-3H3.
What are the key properties of 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one?
3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 348.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 166126762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).