7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C20H14F3N5O — CID 71525492

IUPAC7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc2ncc(C(=O)Nc3ccccn3)n2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N5O/c1-12-10-17-25-11-15(19(29)26-16-8-4-5-9-24-16)28(17)27-18(12)13-6-2-3-7-14(13)20(21,22)23/h2-11H,1H3,(H,24,26,29)
InChIKeyQHMXPDSGYHFEIO-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.37
Rot. Bonds3

About 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 71525492) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID71525492
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc2ncc(C(=O)Nc3ccccn3)n2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N5O/c1-12-10-17-25-11-15(19(29)26-16-8-4-5-9-24-16)28(17)27-18(12)13-6-2-3-7-14(13)20(21,22)23/h2-11H,1H3,(H,24,26,29)
InChIKeyQHMXPDSGYHFEIO-UHFFFAOYSA-N
XLogP4.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 135201828
8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734844
8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 78098431
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71525570
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
ethane;8-[1-hydroxy-3-[2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]oxypropan-2-yl]oxy-7-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734842
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 162475361
N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 137084611
5-phenyl-N-pyridin-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 45157761
6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525950
2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 58154708

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 71525492) is 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc2ncc(C(=O)Nc3ccccn3)n2nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QHMXPDSGYHFEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-12-10-17-25-11-15(19(29)26-16-8-4-5-9-24-16)28(17)27-18(12)13-6-2-3-7-14(13)20(21,22)23/h2-11H,1H3,(H,24,26,29).
What are the key properties of 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 71525492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).