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

C23H21FN8O — CID 118538715

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)cnn1C
InChIInChI=1S/C23H21FN8O/c1-13-17(11-25-31(13)4)23(33)28-19-12-32-20(27-19)10-9-18(29-32)22-21(26-14(2)30(22)3)15-5-7-16(24)8-6-15/h5-12H,1-4H3,(H,28,33)
InChIKeyKZDSOHIHZAKILI-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.54
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 118538715) has the molecular formula C23H21FN8O and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID118538715
Molecular FormulaC23H21FN8O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)cnn1C
InChIInChI=1S/C23H21FN8O/c1-13-17(11-25-31(13)4)23(33)28-19-12-32-20(27-19)10-9-18(29-32)22-21(26-14(2)30(22)3)15-5-7-16(24)8-6-15/h5-12H,1-4H3,(H,28,33)
InChIKeyKZDSOHIHZAKILI-UHFFFAOYSA-N
XLogP3.54
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.54
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]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide (CID 118538715) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)cnn1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is KZDSOHIHZAKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O/c1-13-17(11-25-31(13)4)23(33)28-19-12-32-20(27-19)10-9-18(29-32)22-21(26-14(2)30(22)3)15-5-7-16(24)8-6-15/h5-12H,1-4H3,(H,28,33).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.54, 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]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 118538715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).