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

C24H21FN8O — CID 118537184

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

6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (PubChem CID 118537184) has the molecular formula C24H21FN8O and a molecular weight of 456.49 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
• PubChem CID: 118537184
• Molecular Formula: C24H21FN8O
• Molecular Weight: 456.49 g/mol
• Exact Mass: 456.18
• IUPAC Name: 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
• SMILES: CN(C)c1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cn1
• InChI: InChI=1S/C24H21FN8O/c1-31(2)21-10-6-16(12-26-21)24(34)28-20-14-33-22(27-20)11-9-19(29-33)18-13-32(3)30-23(18)15-4-7-17(25)8-5-15/h4-14H,1-3H3,(H,28,34)
• InChIKey: CHQUCFGJABTPSU-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.49
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (CID 118537184) is 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cn1.

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

The InChIKey is CHQUCFGJABTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O/c1-31(2)21-10-6-16(12-26-21)24(34)28-20-14-33-22(27-20)11-9-19(29-33)18-13-32(3)30-23(18)15-4-7-17(25)8-5-15/h4-14H,1-3H3,(H,28,34).

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

6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118537184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).