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

C19H15F3N6O2 — CID 122510655

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCONC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C19H15F3N6O2/c1-30-26-19(29)14-8-23-16-7-6-13(25-28(14)16)18-17(11-2-4-12(20)5-3-11)24-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,26,29)
InChIKeyRWDMPAOHRFJLAV-UHFFFAOYSA-N
MW416.36 g/mol
LogP2.96
Rot. Bonds6

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

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510655) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510655
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCONC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C19H15F3N6O2/c1-30-26-19(29)14-8-23-16-7-6-13(25-28(14)16)18-17(11-2-4-12(20)5-3-11)24-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,26,29)
InChIKeyRWDMPAOHRFJLAV-UHFFFAOYSA-N
XLogP2.96
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide (CID 122510655) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide is CONC(=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-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RWDMPAOHRFJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c1-30-26-19(29)14-8-23-16-7-6-13(25-28(14)16)18-17(11-2-4-12(20)5-3-11)24-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,26,29).
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-methoxyimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).