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

C24H24N4O3 — CID 170983230

IUPACN-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(-n2c(C)c3cnn(-c4ccc(CNC(C)=O)cc4)c(=O)c3c2C)cc1
InChIInChI=1S/C24H24N4O3/c1-15-22-14-26-28(20-7-5-18(6-8-20)13-25-17(3)29)24(30)23(22)16(2)27(15)19-9-11-21(31-4)12-10-19/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyKKAOIYSOXBLWDP-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.44
Rot. Bonds5

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

N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide (PubChem CID 170983230) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide
PubChem CID170983230
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(-n2c(C)c3cnn(-c4ccc(CNC(C)=O)cc4)c(=O)c3c2C)cc1
InChIInChI=1S/C24H24N4O3/c1-15-22-14-26-28(20-7-5-18(6-8-20)13-25-17(3)29)24(30)23(22)16(2)27(15)19-9-11-21(31-4)12-10-19/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyKKAOIYSOXBLWDP-UHFFFAOYSA-N
XLogP3.44
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

3-[3-(hydroxymethyl)phenyl]-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126511
4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide
CID 170983217
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23601377
6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983305
3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
CID 171059481
3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 172852843
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856055
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
N-[(4-methoxyphenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2671205
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide (CID 170983230) is N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide is COc1ccc(-n2c(C)c3cnn(-c4ccc(CNC(C)=O)cc4)c(=O)c3c2C)cc1.
What is the InChIKey of N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide?
The InChIKey is KKAOIYSOXBLWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-22-14-26-28(20-7-5-18(6-8-20)13-25-17(3)29)24(30)23(22)16(2)27(15)19-9-11-21(31-4)12-10-19/h5-12,14H,13H2,1-4H3,(H,25,29).
What are the key properties of N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide?
N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 170983230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).