5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine

C38H28F6N12O3 — CID 162190116

IUPAC5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
SMILESCc1cnc(C(=O)Nc2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cn1.Cc1cnc(C(=O)O)cn1.Nc1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C19H13F3N6O.C13H9F3N4.C6H6N2O2/c1-11-8-24-15(9-23-11)18(29)26-17-10-25-16-7-6-14(27-28(16)17)12-4-2-3-5-13(12)19(20,21)22;14-13(15,16)9-4-2-1-3-8(9)10-5-6-12-18-7-11(17)20(12)19-10;1-4-2-8-5(3-7-4)6(9)10/h2-10H,1H3,(H,26,29);1-7H,17H2;2-3H,1H3,(H,9,10)
InChIKeyZQELKVDLXWWBMK-UHFFFAOYSA-N
MW814.71 g/mol
LogP7.25
Rot. Bonds5

About 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine

5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine (PubChem CID 162190116) has the molecular formula C38H28F6N12O3 and a molecular weight of 814.71 g/mol. Its IUPAC name is 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
PubChem CID162190116
Molecular FormulaC38H28F6N12O3
Molecular Weight814.71 g/mol
Exact Mass814.23
IUPAC Name5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
SMILESCc1cnc(C(=O)Nc2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cn1.Cc1cnc(C(=O)O)cn1.Nc1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C19H13F3N6O.C13H9F3N4.C6H6N2O2/c1-11-8-24-15(9-23-11)18(29)26-17-10-25-16-7-6-14(27-28(16)17)12-4-2-3-5-13(12)19(20,21)22;14-13(15,16)9-4-2-1-3-8(9)10-5-6-12-18-7-11(17)20(12)19-10;1-4-2-8-5(3-7-4)6(9)10/h2-10H,1H3,(H,26,29);1-7H,17H2;2-3H,1H3,(H,9,10)
InChIKeyZQELKVDLXWWBMK-UHFFFAOYSA-N
XLogP7.25
TPSA204.36 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.71
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine with MolForge

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Related Compounds

N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)pyrazine-2-carboxamide
CID 118538669
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
CID 118550856
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 118551220
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89526733
US9981944, Example 73
CID 122478389
6-[3-(2,4-Difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 22031141
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide
CID 59759543
N-(5-methylpyridin-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525405
N-(6-methylpyridin-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525406
N-(2,6-dimethylpyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525407
7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525492
N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide
CID 71525566

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine (CID 162190116) is 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine is Cc1cnc(C(=O)Nc2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cn1.Cc1cnc(C(=O)O)cn1.Nc1cnc2ccc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is ZQELKVDLXWWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O.C13H9F3N4.C6H6N2O2/c1-11-8-24-15(9-23-11)18(29)26-17-10-25-16-7-6-14(27-28(16)17)12-4-2-3-5-13(12)19(20,21)22;14-13(15,16)9-4-2-1-3-8(9)10-5-6-12-18-7-11(17)20(12)19-10;1-4-2-8-5(3-7-4)6(9)10/h2-10H,1H3,(H,26,29);1-7H,17H2;2-3H,1H3,(H,9,10).
What are the key properties of 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 814.71 g/mol, XLogP of 7.25, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrazine-2-carboxylic acid;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyrazine-2-carboxamide;6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 162190116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).