6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid

C16H11F3N4O3 — CID 177048405

IUPAC6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)O)nn2-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H11F3N4O3/c1-7-5-10-12(21-8(7)2)14(24)13(15(25)26)22-23(10)9-3-4-11(20-6-9)16(17,18)19/h3-6H,1-2H3,(H,25,26)
InChIKeyBRYFZNCJNXWLLE-UHFFFAOYSA-N
MW364.28 g/mol
LogP2.51
Rot. Bonds2

About 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid

6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid (PubChem CID 177048405) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid
PubChem CID177048405
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC Name6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)O)nn2-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H11F3N4O3/c1-7-5-10-12(21-8(7)2)14(24)13(15(25)26)22-23(10)9-3-4-11(20-6-9)16(17,18)19/h3-6H,1-2H3,(H,25,26)
InChIKeyBRYFZNCJNXWLLE-UHFFFAOYSA-N
XLogP2.51
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

8-Fluoro-1-[[5-(6-fluoro-3-pyridinyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46190807
8-Fluoro-4-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 46225041
8-Fluoro-1-[[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225076
8-Fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid
CID 46225149
4-Oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid
CID 46885731
Ethyl 4-oxo-1-(pyridin-3-yl)-1,4-dihydrocinnoline-3-carboxylate
CID 53337867
3-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one
CID 53482185
7-[(3,4-difluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1,5-naphthyridine-3-carboxylic acid
CID 58334703
7-[(3,4-Difluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,5-naphthyridine-3-carboxylic acid
CID 76764963
4-Oxo-1-((3'-(trifluoromethyl)biphenyl-2-yl)methyl)-1,4-dihydro-1,5-naphthyridine-3-carboxylic acid
CID 76902674
4-Oxo-1-((4'-(trifluoromethyl)biphenyl-2-yl)methyl)-1,4-dihydro-1,5-naphthyridine-3-carboxylic acid
CID 76902675
6-Methyl-4-oxo-1-pyridin-3-yl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridine-3-carboxylic acid
CID 89983056

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid?
The IUPAC name of 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid (CID 177048405) is 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid is Cc1cc2c(nc1C)c(=O)c(C(=O)O)nn2-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid?
The InChIKey is BRYFZNCJNXWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c1-7-5-10-12(21-8(7)2)14(24)13(15(25)26)22-23(10)9-3-4-11(20-6-9)16(17,18)19/h3-6H,1-2H3,(H,25,26).
What are the key properties of 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid?
6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid has a molecular weight of 364.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxylic acid is sourced from PubChem (CID 177048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).