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

C23H25FN6O2 — CID 118538935

IUPACN-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCOCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1
InChIInChI=1S/C23H25FN6O2/c1-23(2,3)22(31)27-18-13-30-19(26-18)10-9-17(28-30)21-20(15-5-7-16(24)8-6-15)25-14-29(21)11-12-32-4/h5-10,13-14H,11-12H2,1-4H3,(H,27,31)
InChIKeyKLDSBIHKDVSZCE-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.03
Rot. Bonds6

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

N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538935) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538935
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCOCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1
InChIInChI=1S/C23H25FN6O2/c1-23(2,3)22(31)27-18-13-30-19(26-18)10-9-17(28-30)21-20(15-5-7-16(24)8-6-15)25-14-29(21)11-12-32-4/h5-10,13-14H,11-12H2,1-4H3,(H,27,31)
InChIKeyKLDSBIHKDVSZCE-UHFFFAOYSA-N
XLogP4.03
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538935) is N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is COCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KLDSBIHKDVSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-23(2,3)22(31)27-18-13-30-19(26-18)10-9-17(28-30)21-20(15-5-7-16(24)8-6-15)25-14-29(21)11-12-32-4/h5-10,13-14H,11-12H2,1-4H3,(H,27,31).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 436.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).