2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C23H23N5O2 — CID 20894228

IUPAC2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1c2cnn(CC(=O)NCc3ccccn3)c(=O)c2c(C)n1Cc1ccccc1
InChIInChI=1S/C23H23N5O2/c1-16-20-13-26-28(15-21(29)25-12-19-10-6-7-11-24-19)23(30)22(20)17(2)27(16)14-18-8-4-3-5-9-18/h3-11,13H,12,14-15H2,1-2H3,(H,25,29)
InChIKeyUUWXWRKJECMDPH-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.57
Rot. Bonds6

About 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 20894228) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID20894228
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1c2cnn(CC(=O)NCc3ccccn3)c(=O)c2c(C)n1Cc1ccccc1
InChIInChI=1S/C23H23N5O2/c1-16-20-13-26-28(15-21(29)25-12-19-10-6-7-11-24-19)23(30)22(20)17(2)27(16)14-18-8-4-3-5-9-18/h3-11,13H,12,14-15H2,1-2H3,(H,25,29)
InChIKeyUUWXWRKJECMDPH-UHFFFAOYSA-N
XLogP2.57
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 20894228) is 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1c2cnn(CC(=O)NCc3ccccn3)c(=O)c2c(C)n1Cc1ccccc1.
What is the InChIKey of 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UUWXWRKJECMDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-20-13-26-28(15-21(29)25-12-19-10-6-7-11-24-19)23(30)22(20)17(2)27(16)14-18-8-4-3-5-9-18/h3-11,13H,12,14-15H2,1-2H3,(H,25,29).
What are the key properties of 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 20894228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).