2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C18H17F3N4O3 — CID 83272222

IUPAC2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)cc2C1
InChIInChI=1S/C18H17F3N4O3/c1-11(26)24-7-6-15-12(9-24)8-17(28)25(23-15)10-16(27)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,8H,6-7,9-10H2,1H3,(H,22,27)
InChIKeyPBPJXOMBZCJJNA-UHFFFAOYSA-N
MW394.35 g/mol
LogP1.81
Rot. Bonds3

About 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 83272222) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID83272222
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)cc2C1
InChIInChI=1S/C18H17F3N4O3/c1-11(26)24-7-6-15-12(9-24)8-17(28)25(23-15)10-16(27)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,8H,6-7,9-10H2,1H3,(H,22,27)
InChIKeyPBPJXOMBZCJJNA-UHFFFAOYSA-N
XLogP1.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 83272222) is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N1CCc2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)cc2C1.
What is the InChIKey of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PBPJXOMBZCJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-11(26)24-7-6-15-12(9-24)8-17(28)25(23-15)10-16(27)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,8H,6-7,9-10H2,1H3,(H,22,27).
What are the key properties of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 394.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 83272222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).