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

C22H23FN6O2 — CID 118538734

IUPACN-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCO)ccc2n1
InChIInChI=1S/C22H23FN6O2/c1-22(2,3)21(31)26-17-12-29-18(25-17)9-8-16(27-29)20-19(24-13-28(20)10-11-30)14-4-6-15(23)7-5-14/h4-9,12-13,30H,10-11H2,1-3H3,(H,26,31)
InChIKeyBYASUXNLIPQMHW-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.38
Rot. Bonds5

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

N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538734) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538734
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCO)ccc2n1
InChIInChI=1S/C22H23FN6O2/c1-22(2,3)21(31)26-17-12-29-18(25-17)9-8-16(27-29)20-19(24-13-28(20)10-11-30)14-4-6-15(23)7-5-14/h4-9,12-13,30H,10-11H2,1-3H3,(H,26,31)
InChIKeyBYASUXNLIPQMHW-UHFFFAOYSA-N
XLogP3.38
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538734) is N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)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-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCO)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is BYASUXNLIPQMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-22(2,3)21(31)26-17-12-29-18(25-17)9-8-16(27-29)20-19(24-13-28(20)10-11-30)14-4-6-15(23)7-5-14/h4-9,12-13,30H,10-11H2,1-3H3,(H,26,31).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 422.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).