6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C42H37ClF6N12O3 — CID 144734799

IUPAC6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC.CCNc1cccc(NC(=O)c2cnc3ccc(-c4ccccc4Cl)nn23)n1.O=C(NC1=CCN=C(OCC(F)(F)F)N1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C20H17ClN6O.C20H14F6N6O2.C2H6/c1-2-22-17-8-5-9-18(24-17)25-20(28)16-12-23-19-11-10-15(26-27(16)19)13-6-3-4-7-14(13)21;21-19(22,23)10-34-18-27-8-7-15(30-18)29-17(33)14-9-28-16-6-5-13(31-32(14)16)11-3-1-2-4-12(11)20(24,25)26;1-2/h3-12H,2H2,1H3,(H2,22,24,25,28);1-7,9H,8,10H2,(H,27,30)(H,29,33);1-2H3
InChIKeyKAFHICFDOOVHEO-UHFFFAOYSA-N
MW907.28 g/mol
LogP8.68
Rot. Bonds9

About 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144734799) has the molecular formula C42H37ClF6N12O3 and a molecular weight of 907.28 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID144734799
Molecular FormulaC42H37ClF6N12O3
Molecular Weight907.28 g/mol
Exact Mass906.27
IUPAC Name6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC.CCNc1cccc(NC(=O)c2cnc3ccc(-c4ccccc4Cl)nn23)n1.O=C(NC1=CCN=C(OCC(F)(F)F)N1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C20H17ClN6O.C20H14F6N6O2.C2H6/c1-2-22-17-8-5-9-18(24-17)25-20(28)16-12-23-19-11-10-15(26-27(16)19)13-6-3-4-7-14(13)21;21-19(22,23)10-34-18-27-8-7-15(30-18)29-17(33)14-9-28-16-6-5-13(31-32(14)16)11-3-1-2-4-12(11)20(24,25)26;1-2/h3-12H,2H2,1H3,(H2,22,24,25,28);1-7,9H,8,10H2,(H,27,30)(H,29,33);1-2H3
InChIKeyKAFHICFDOOVHEO-UHFFFAOYSA-N
XLogP8.68
TPSA177.12 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.28
LogP ≤ 58.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1762943
2-chloro-N-(6-(2-(4-fluorophenyl)imidazo[1,2-a] pyridin-3-yl)imidazo[1,2-b] pyridazin-2-yl)-5-(trifluoromethyl) isonicotinamide
CID 118538664
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89526733
N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995429
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995432
N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995968
6-[4-(2-Trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid (5-chloropyridin-2-YL)amide
CID 11642251
6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771915
2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24772792
6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24772843
3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide
CID 24830233
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 57906523

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144734799) is 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CC.CCNc1cccc(NC(=O)c2cnc3ccc(-c4ccccc4Cl)nn23)n1.O=C(NC1=CCN=C(OCC(F)(F)F)N1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KAFHICFDOOVHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O.C20H14F6N6O2.C2H6/c1-2-22-17-8-5-9-18(24-17)25-20(28)16-12-23-19-11-10-15(26-27(16)19)13-6-3-4-7-14(13)21;21-19(22,23)10-34-18-27-8-7-15(30-18)29-17(33)14-9-28-16-6-5-13(31-32(14)16)11-3-1-2-4-12(11)20(24,25)26;1-2/h3-12H,2H2,1H3,(H2,22,24,25,28);1-7,9H,8,10H2,(H,27,30)(H,29,33);1-2H3.
What are the key properties of 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 907.28 g/mol, XLogP of 8.68, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[6-(ethylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-[2-(2,2,2-trifluoroethoxy)-1,4-dihydropyrimidin-6-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144734799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).