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

C20H17F3N6O — CID 122510944

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C20H17F3N6O/c1-27(2)20(30)15-9-24-17-8-7-14(26-29(15)17)19-18(12-3-5-13(21)6-4-12)25-11-28(19)10-16(22)23/h3-9,11,16H,10H2,1-2H3
InChIKeyIOFLFLRLWZBFFK-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.37
Rot. Bonds5

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

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510944) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510944
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C20H17F3N6O/c1-27(2)20(30)15-9-24-17-8-7-14(26-29(15)17)19-18(12-3-5-13(21)6-4-12)25-11-28(19)10-16(22)23/h3-9,11,16H,10H2,1-2H3
InChIKeyIOFLFLRLWZBFFK-UHFFFAOYSA-N
XLogP3.37
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
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,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide (CID 122510944) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide is CN(C)C(=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,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is IOFLFLRLWZBFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-27(2)20(30)15-9-24-17-8-7-14(26-29(15)17)19-18(12-3-5-13(21)6-4-12)25-11-28(19)10-16(22)23/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 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,N-dimethylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).