6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide

C19H15F3N6O — CID 122510455

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C19H15F3N6O/c1-23-19(29)14-8-24-16-7-6-13(26-28(14)16)18-17(11-2-4-12(20)5-3-11)25-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,23,29)
InChIKeyUHRYMDJRYFXYNF-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.02
Rot. Bonds5

About 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510455) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510455
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C19H15F3N6O/c1-23-19(29)14-8-24-16-7-6-13(26-28(14)16)18-17(11-2-4-12(20)5-3-11)25-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,23,29)
InChIKeyUHRYMDJRYFXYNF-UHFFFAOYSA-N
XLogP3.02
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide (CID 122510455) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is UHRYMDJRYFXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-23-19(29)14-8-24-16-7-6-13(26-28(14)16)18-17(11-2-4-12(20)5-3-11)25-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,23,29).
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).