N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C43H37F6N11O5 — CID 144734919

IUPACN-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC.Cc1cc(OCC(O)CO)nc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)n1.O=C(Nc1ccncc1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C22H19F3N6O4.C19H12F3N5O.C2H6/c1-12-8-19(35-11-13(33)10-32)28-21(27-12)29-20(34)17-9-26-18-7-6-16(30-31(17)18)14-4-2-3-5-15(14)22(23,24)25;20-19(21,22)14-4-2-1-3-13(14)15-5-6-17-24-11-16(27(17)26-15)18(28)25-12-7-9-23-10-8-12;1-2/h2-9,13,32-33H,10-11H2,1H3,(H,27,28,29,34);1-11H,(H,23,25,28);1-2H3
InChIKeyYPAQGUYICKGGAB-UHFFFAOYSA-N
MW901.83 g/mol
LogP7.59
Rot. Bonds10

About N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144734919) has the molecular formula C43H37F6N11O5 and a molecular weight of 901.83 g/mol. Its IUPAC name is N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID144734919
Molecular FormulaC43H37F6N11O5
Molecular Weight901.83 g/mol
Exact Mass901.29
IUPAC NameN-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC.Cc1cc(OCC(O)CO)nc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)n1.O=C(Nc1ccncc1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C22H19F3N6O4.C19H12F3N5O.C2H6/c1-12-8-19(35-11-13(33)10-32)28-21(27-12)29-20(34)17-9-26-18-7-6-16(30-31(17)18)14-4-2-3-5-15(14)22(23,24)25;20-19(21,22)14-4-2-1-3-13(14)15-5-6-17-24-11-16(27(17)26-15)18(28)25-12-7-9-23-10-8-12;1-2/h2-9,13,32-33H,10-11H2,1H3,(H,27,28,29,34);1-11H,(H,23,25,28);1-2H3
InChIKeyYPAQGUYICKGGAB-UHFFFAOYSA-N
XLogP7.59
TPSA206.94 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.83
LogP ≤ 57.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67259720
N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67260255
6-((1R,3R)-3-hydroxy-1-methyl-butoxy)-imidazo[1,2-b]pyridazine-2-carboxylic acid [5-(3-trifluoromethyl-phenyl)-1H-benzoimidazol-2-yl]-amide
CID 67386548
6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide
CID 71525568
N-[4-(2,3-dihydroxypropoxy)pyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525579
N-(6-((1,3-dihydroxypropan-2-yl)oxy)pyridin-2-yl)-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515412
6-(2,3-dihydroxypropoxy)-N-(7,8-dimethyl-6-(2-(trifluoromethyl)phenyl) imidazo[1,2-b]pyridazin-3-yl)picolinamide
CID 89515449
N-(2-(2,3-dihydroxypropoxy)pyridin-4-yl)-6-(2-(trifluoromethyl)phenyl) imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515470
N-(4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl)-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515513
N-(4-(2,3-dihydroxypropoxy)pyridin-2-yl)-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515568
N-(6-((2-phenyl-1,3-dioxan-5-yl)oxy)pyridin-2-yl)-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515638
N-[6-(2,3-dihydroxypropoxy)pyridin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515644

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144734919) is N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CC.Cc1cc(OCC(O)CO)nc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)n1.O=C(Nc1ccncc1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YPAQGUYICKGGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O4.C19H12F3N5O.C2H6/c1-12-8-19(35-11-13(33)10-32)28-21(27-12)29-20(34)17-9-26-18-7-6-16(30-31(17)18)14-4-2-3-5-15(14)22(23,24)25;20-19(21,22)14-4-2-1-3-13(14)15-5-6-17-24-11-16(27(17)26-15)18(28)25-12-7-9-23-10-8-12;1-2/h2-9,13,32-33H,10-11H2,1H3,(H,27,28,29,34);1-11H,(H,23,25,28);1-2H3.
What are the key properties of N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 901.83 g/mol, XLogP of 7.59, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroxypropoxy)-6-methylpyrimidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144734919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).