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

C22H17FN8O — CID 118538669

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnccn4)cn3n2)n1C
InChIInChI=1S/C22H17FN8O/c1-13-26-20(14-3-5-15(23)6-4-14)21(30(13)2)16-7-8-19-27-18(12-31(19)29-16)28-22(32)17-11-24-9-10-25-17/h3-12H,1-2H3,(H,28,32)
InChIKeyIKADCJZAWGFSHO-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.29
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide (PubChem CID 118538669) has the molecular formula C22H17FN8O and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
PubChem CID118538669
Molecular FormulaC22H17FN8O
Molecular Weight428.43 g/mol
Exact Mass428.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnccn4)cn3n2)n1C
InChIInChI=1S/C22H17FN8O/c1-13-26-20(14-3-5-15(23)6-4-14)21(30(13)2)16-7-8-19-27-18(12-31(19)29-16)28-22(32)17-11-24-9-10-25-17/h3-12H,1-2H3,(H,28,32)
InChIKeyIKADCJZAWGFSHO-UHFFFAOYSA-N
XLogP3.29
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide (CID 118538669) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnccn4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide?
The InChIKey is IKADCJZAWGFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8O/c1-13-26-20(14-3-5-15(23)6-4-14)21(30(13)2)16-7-8-19-27-18(12-31(19)29-16)28-22(32)17-11-24-9-10-25-17/h3-12H,1-2H3,(H,28,32).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118538669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).