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

C28H20FN7O — CID 118537148

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cncc(-c5ccccc5)c4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H20FN7O/c1-35-16-23(27(34-35)19-7-9-22(29)10-8-19)24-11-12-26-31-25(17-36(26)33-24)32-28(37)21-13-20(14-30-15-21)18-5-3-2-4-6-18/h2-17H,1H3,(H,32,37)
InChIKeyFJBUTRXXIQJMHS-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.25
Rot. Bonds5

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide (PubChem CID 118537148) has the molecular formula C28H20FN7O and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide
PubChem CID118537148
Molecular FormulaC28H20FN7O
Molecular Weight489.51 g/mol
Exact Mass489.17
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cncc(-c5ccccc5)c4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H20FN7O/c1-35-16-23(27(34-35)19-7-9-22(29)10-8-19)24-11-12-26-31-25(17-36(26)33-24)32-28(37)21-13-20(14-30-15-21)18-5-3-2-4-6-18/h2-17H,1H3,(H,32,37)
InChIKeyFJBUTRXXIQJMHS-UHFFFAOYSA-N
XLogP5.25
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide (CID 118537148) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4cncc(-c5ccccc5)c4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide?
The InChIKey is FJBUTRXXIQJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN7O/c1-35-16-23(27(34-35)19-7-9-22(29)10-8-19)24-11-12-26-31-25(17-36(26)33-24)32-28(37)21-13-20(14-30-15-21)18-5-3-2-4-6-18/h2-17H,1H3,(H,32,37).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 118537148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).