N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C20H14F3N5O — CID 71525405

IUPACN-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cncc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)c1
InChIInChI=1S/C20H14F3N5O/c1-12-8-13(10-24-9-12)26-19(29)17-11-25-18-7-6-16(27-28(17)18)14-4-2-3-5-15(14)20(21,22)23/h2-11H,1H3,(H,26,29)
InChIKeyKDHACHCDTRBUSP-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.37
Rot. Bonds3

About N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 71525405) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID71525405
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC NameN-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cncc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)c1
InChIInChI=1S/C20H14F3N5O/c1-12-8-13(10-24-9-12)26-19(29)17-11-25-18-7-6-16(27-28(17)18)14-4-2-3-5-15(14)20(21,22)23/h2-11H,1H3,(H,26,29)
InChIKeyKDHACHCDTRBUSP-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 71525405) is N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cncc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KDHACHCDTRBUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-12-8-13(10-24-9-12)26-19(29)17-11-25-18-7-6-16(27-28(17)18)14-4-2-3-5-15(14)20(21,22)23/h2-11H,1H3,(H,26,29).
What are the key properties of N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(5-methyl-3-pyridinyl)-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 N-(5-methyl-3-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 71525405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).