6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide

C23H17F2N7O — CID 118538955

IUPAC6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(F)nc4)cn3n2)n1C
InChIInChI=1S/C23H17F2N7O/c1-13-27-21(14-3-6-16(24)7-4-14)22(31(13)2)17-8-10-20-28-19(12-32(20)30-17)29-23(33)15-5-9-18(25)26-11-15/h3-12H,1-2H3,(H,29,33)
InChIKeyHMGDALFNELJETR-UHFFFAOYSA-N
MW445.43 g/mol
LogP4.03
Rot. Bonds4

About 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide

6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (PubChem CID 118538955) has the molecular formula C23H17F2N7O and a molecular weight of 445.43 g/mol. Its IUPAC name is 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
PubChem CID118538955
Molecular FormulaC23H17F2N7O
Molecular Weight445.43 g/mol
Exact Mass445.15
IUPAC Name6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(F)nc4)cn3n2)n1C
InChIInChI=1S/C23H17F2N7O/c1-13-27-21(14-3-6-16(24)7-4-14)22(31(13)2)17-8-10-20-28-19(12-32(20)30-17)29-23(33)15-5-9-18(25)26-11-15/h3-12H,1-2H3,(H,29,33)
InChIKeyHMGDALFNELJETR-UHFFFAOYSA-N
XLogP4.03
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (CID 118538955) is 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(F)nc4)cn3n2)n1C.
What is the InChIKey of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The InChIKey is HMGDALFNELJETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7O/c1-13-27-21(14-3-6-16(24)7-4-14)22(31(13)2)17-8-10-20-28-19(12-32(20)30-17)29-23(33)15-5-9-18(25)26-11-15/h3-12H,1-2H3,(H,29,33).
What are the key properties of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118538955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).