N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide

C21H21FN6O — CID 118538839

IUPACN-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1
InChIInChI=1S/C21H21FN6O/c1-21(2,3)20(29)25-16-11-28-17(24-16)10-9-15(26-28)19-18(23-12-27(19)4)13-5-7-14(22)8-6-13/h5-12H,1-4H3,(H,25,29)
InChIKeyWEJNVTWQSQPSQX-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.92
Rot. Bonds3

About N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide

N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538839) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538839
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1
InChIInChI=1S/C21H21FN6O/c1-21(2,3)20(29)25-16-11-28-17(24-16)10-9-15(26-28)19-18(23-12-27(19)4)13-5-7-14(22)8-6-13/h5-12H,1-4H3,(H,25,29)
InChIKeyWEJNVTWQSQPSQX-UHFFFAOYSA-N
XLogP3.92
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538839) is N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is WEJNVTWQSQPSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-21(2,3)20(29)25-16-11-28-17(24-16)10-9-15(26-28)19-18(23-12-27(19)4)13-5-7-14(22)8-6-13/h5-12H,1-4H3,(H,25,29).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 392.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).