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

C23H25FN6O — CID 90240355

IUPACN-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1
InChIInChI=1S/C23H25FN6O/c1-5-12-29-14-25-20(15-6-8-16(24)9-7-15)21(29)17-10-11-19-26-18(13-30(19)28-17)27-22(31)23(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,27,31)
InChIKeySDHMJWFMZKAXSG-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.79
Rot. Bonds5

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

N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 90240355) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID90240355
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1
InChIInChI=1S/C23H25FN6O/c1-5-12-29-14-25-20(15-6-8-16(24)9-7-15)21(29)17-10-11-19-26-18(13-30(19)28-17)27-22(31)23(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,27,31)
InChIKeySDHMJWFMZKAXSG-UHFFFAOYSA-N
XLogP4.79
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.79
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-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 90240355) is N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is CCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is SDHMJWFMZKAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-5-12-29-14-25-20(15-6-8-16(24)9-7-15)21(29)17-10-11-19-26-18(13-30(19)28-17)27-22(31)23(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,27,31).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 420.49 g/mol, XLogP of 4.79, 5 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-propylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 90240355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).