2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide

C25H26N4O2 — CID 20894048

IUPAC2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1
InChIInChI=1S/C25H26N4O2/c1-15-11-16(2)13-20(12-15)27-24(30)19(5)28-17(3)22-14-26-29(21-9-7-6-8-10-21)25(31)23(22)18(28)4/h6-14,19H,1-5H3,(H,27,30)
InChIKeyUOZNHPAZBAMBNQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.62
Rot. Bonds4

About 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide

2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 20894048) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide
PubChem CID20894048
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1
InChIInChI=1S/C25H26N4O2/c1-15-11-16(2)13-20(12-15)27-24(30)19(5)28-17(3)22-14-26-29(21-9-7-6-8-10-21)25(31)23(22)18(28)4/h6-14,19H,1-5H3,(H,27,30)
InChIKeyUOZNHPAZBAMBNQ-UHFFFAOYSA-N
XLogP4.62
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
CID 20894045
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 46261653
4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide
CID 20894167
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 20894006
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 20894105
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 20893978
(2R)-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
CID 92668931
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 20893981
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
CID 20893985

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide (CID 20894048) is 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)C(C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1.
What is the InChIKey of 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is UOZNHPAZBAMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15-11-16(2)13-20(12-15)27-24(30)19(5)28-17(3)22-14-26-29(21-9-7-6-8-10-21)25(31)23(22)18(28)4/h6-14,19H,1-5H3,(H,27,30).
What are the key properties of 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide?
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 20894048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).