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

C22H19FN8O — CID 118538660

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnn(C)c4)cn3n2)n1C
InChIInChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-16(23)7-5-14)21(30(13)3)17-8-9-19-26-18(12-31(19)28-17)27-22(32)15-10-24-29(2)11-15/h4-12H,1-3H3,(H,27,32)
InChIKeySGWJUDZCBINMFU-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.23
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 118538660) has the molecular formula C22H19FN8O and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID118538660
Molecular FormulaC22H19FN8O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnn(C)c4)cn3n2)n1C
InChIInChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-16(23)7-5-14)21(30(13)3)17-8-9-19-26-18(12-31(19)28-17)27-22(32)15-10-24-29(2)11-15/h4-12H,1-3H3,(H,27,32)
InChIKeySGWJUDZCBINMFU-UHFFFAOYSA-N
XLogP3.23
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.23
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-methylpyrazole-4-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide (CID 118538660) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-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-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnn(C)c4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is SGWJUDZCBINMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-16(23)7-5-14)21(30(13)3)17-8-9-19-26-18(12-31(19)28-17)27-22(32)15-10-24-29(2)11-15/h4-12H,1-3H3,(H,27,32).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 3.23, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 118538660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).