2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

C20H14F3N5O2 — CID 134551585

IUPAC2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)12-30-17-7-8-24-10-15(17)27-19(29)14-6-9-25-28-11-16(26-18(14)28)13-4-2-1-3-5-13/h1-11H,12H2,(H,27,29)
InChIKeyCJBGZDIMVHUOFK-UHFFFAOYSA-N
MW413.36 g/mol
LogP3.98
Rot. Bonds5

About 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551585) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551585
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC Name2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)12-30-17-7-8-24-10-15(17)27-19(29)14-6-9-25-28-11-16(26-18(14)28)13-4-2-1-3-5-13/h1-11H,12H2,(H,27,29)
InChIKeyCJBGZDIMVHUOFK-UHFFFAOYSA-N
XLogP3.98
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551585) is 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is CJBGZDIMVHUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)12-30-17-7-8-24-10-15(17)27-19(29)14-6-9-25-28-11-16(26-18(14)28)13-4-2-1-3-5-13/h1-11H,12H2,(H,27,29).
What are the key properties of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).