N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H16F3N5O — CID 71525407

IUPACN-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cc(C)n1
InChIInChI=1S/C21H16F3N5O/c1-12-9-14(10-13(2)26-12)27-20(30)18-11-25-19-8-7-17(28-29(18)19)15-5-3-4-6-16(15)21(22,23)24/h3-11H,1-2H3,(H,26,27,30)
InChIKeyWFUKCWGOGLFXGS-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.68
Rot. Bonds3

About N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 71525407) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID71525407
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cc(C)n1
InChIInChI=1S/C21H16F3N5O/c1-12-9-14(10-13(2)26-12)27-20(30)18-11-25-19-8-7-17(28-29(18)19)15-5-3-4-6-16(15)21(22,23)24/h3-11H,1-2H3,(H,26,27,30)
InChIKeyWFUKCWGOGLFXGS-UHFFFAOYSA-N
XLogP4.68
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 71525407) is N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WFUKCWGOGLFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-12-9-14(10-13(2)26-12)27-20(30)18-11-25-19-8-7-17(28-29(18)19)15-5-3-4-6-16(15)21(22,23)24/h3-11H,1-2H3,(H,26,27,30).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 71525407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).