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

C28H20F2N8O — CID 118547790

IUPAC6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc(-c5ccc(F)cc5)ncn4)cn3n2)n1C
InChIInChI=1S/C28H20F2N8O/c1-16-33-26(18-5-9-20(30)10-6-18)27(37(16)2)21-11-12-25-34-24(14-38(25)36-21)35-28(39)23-13-22(31-15-32-23)17-3-7-19(29)8-4-17/h3-15H,1-2H3,(H,35,39)
InChIKeyZAAPXIWSHIWKAS-UHFFFAOYSA-N
MW522.52 g/mol
LogP5.09
Rot. Bonds5

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

6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide (PubChem CID 118547790) has the molecular formula C28H20F2N8O and a molecular weight of 522.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
PubChem CID118547790
Molecular FormulaC28H20F2N8O
Molecular Weight522.52 g/mol
Exact Mass522.17
IUPAC Name6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc(-c5ccc(F)cc5)ncn4)cn3n2)n1C
InChIInChI=1S/C28H20F2N8O/c1-16-33-26(18-5-9-20(30)10-6-18)27(37(16)2)21-11-12-25-34-24(14-38(25)36-21)35-28(39)23-13-22(31-15-32-23)17-3-7-19(29)8-4-17/h3-15H,1-2H3,(H,35,39)
InChIKeyZAAPXIWSHIWKAS-UHFFFAOYSA-N
XLogP5.09
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide (CID 118547790) is 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc(-c5ccc(F)cc5)ncn4)cn3n2)n1C.
What is the InChIKey of 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is ZAAPXIWSHIWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N8O/c1-16-33-26(18-5-9-20(30)10-6-18)27(37(16)2)21-11-12-25-34-24(14-38(25)36-21)35-28(39)23-13-22(31-15-32-23)17-3-7-19(29)8-4-17/h3-15H,1-2H3,(H,35,39).
What are the key properties of 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide?
6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 522.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118547790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).