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

C27H25FN6O — CID 118538929

IUPACN-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccccc3)ccc2n1
InChIInChI=1S/C27H25FN6O/c1-27(2,3)26(35)31-22-16-34-23(30-22)14-13-21(32-34)25-24(19-9-11-20(28)12-10-19)29-17-33(25)15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,31,35)
InChIKeyLKKOZCRQMMCWBJ-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.43
Rot. Bonds5

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

N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538929) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538929
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC NameN-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccccc3)ccc2n1
InChIInChI=1S/C27H25FN6O/c1-27(2,3)26(35)31-22-16-34-23(30-22)14-13-21(32-34)25-24(19-9-11-20(28)12-10-19)29-17-33(25)15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,31,35)
InChIKeyLKKOZCRQMMCWBJ-UHFFFAOYSA-N
XLogP5.43
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538929) is N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccccc3)ccc2n1.
What is the InChIKey of N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LKKOZCRQMMCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c1-27(2,3)26(35)31-22-16-34-23(30-22)14-13-21(32-34)25-24(19-9-11-20(28)12-10-19)29-17-33(25)15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,31,35).
What are the key properties of N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 468.54 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).