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

C26H24FN7O — CID 123536581

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

N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 123536581) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 123536581
• Molecular Formula: C26H24FN7O
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.20
• IUPAC Name: N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: CCC(C)c1c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c(-c2ccc(F)cc2)nn1C
• InChI: InChI=1S/C26H24FN7O/c1-4-16(2)25-23(24(32-33(25)3)17-5-7-19(27)8-6-17)20-9-10-22-29-21(15-34(22)31-20)30-26(35)18-11-13-28-14-12-18/h5-16H,4H2,1-3H3,(H,30,35)
• InChIKey: PXCJBFMNVHRMQE-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 123536581) is N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is CCC(C)c1c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c(-c2ccc(F)cc2)nn1C.

What is the InChIKey of N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is PXCJBFMNVHRMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-4-16(2)25-23(24(32-33(25)3)17-5-7-19(27)8-6-17)20-9-10-22-29-21(15-34(22)31-20)30-26(35)18-11-13-28-14-12-18/h5-16H,4H2,1-3H3,(H,30,35).

What are the key properties of N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 123536581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).