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

C25H23FN6O2 — CID 118538720

IUPACN-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccoc3)ccc2n1
InChIInChI=1S/C25H23FN6O2/c1-25(2,3)24(33)29-20-13-32-21(28-20)9-8-19(30-32)23-22(17-4-6-18(26)7-5-17)27-15-31(23)12-16-10-11-34-14-16/h4-11,13-15H,12H2,1-3H3,(H,29,33)
InChIKeyHWKVOPMKGABQLA-UHFFFAOYSA-N
MW458.50 g/mol
LogP5.02
Rot. Bonds5

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

N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538720) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538720
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccoc3)ccc2n1
InChIInChI=1S/C25H23FN6O2/c1-25(2,3)24(33)29-20-13-32-21(28-20)9-8-19(30-32)23-22(17-4-6-18(26)7-5-17)27-15-31(23)12-16-10-11-34-14-16/h4-11,13-15H,12H2,1-3H3,(H,29,33)
InChIKeyHWKVOPMKGABQLA-UHFFFAOYSA-N
XLogP5.02
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 55.02
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-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538720) is N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)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-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccoc3)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is HWKVOPMKGABQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-25(2,3)24(33)29-20-13-32-21(28-20)9-8-19(30-32)23-22(17-4-6-18(26)7-5-17)27-15-31(23)12-16-10-11-34-14-16/h4-11,13-15H,12H2,1-3H3,(H,29,33).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 458.50 g/mol, XLogP of 5.02, 5 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-(furan-3-ylmethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).