6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C18H15FN6O — CID 122510795

IUPAC6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C18H15FN6O/c1-2-24-10-22-16(11-3-5-12(19)6-4-11)17(24)13-7-8-15-21-9-14(18(20)26)25(15)23-13/h3-10H,2H2,1H3,(H2,20,26)
InChIKeyFOWRMRUKQMVYKL-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.52
Rot. Bonds4

About 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510795) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510795
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C18H15FN6O/c1-2-24-10-22-16(11-3-5-12(19)6-4-11)17(24)13-7-8-15-21-9-14(18(20)26)25(15)23-13/h3-10H,2H2,1H3,(H2,20,26)
InChIKeyFOWRMRUKQMVYKL-UHFFFAOYSA-N
XLogP2.52
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510795) is 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is FOWRMRUKQMVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-2-24-10-22-16(11-3-5-12(19)6-4-11)17(24)13-7-8-15-21-9-14(18(20)26)25(15)23-13/h3-10H,2H2,1H3,(H2,20,26).
What are the key properties of 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).