N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C32H33FN8O2 — CID 118537217

About N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118537217) has the molecular formula C32H33FN8O2 and a molecular weight of 580.67 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118537217
• Molecular Formula: C32H33FN8O2
• Molecular Weight: 580.67 g/mol
• Exact Mass: 580.27
• IUPAC Name: N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(C2CCOCC2)CC1
• InChI: InChI=1S/C32H33FN8O2/c1-39-31(22-10-16-40(17-11-22)25-12-18-43-19-13-25)29(30(38-39)21-2-4-24(33)5-3-21)26-6-7-28-35-27(20-41(28)37-26)36-32(42)23-8-14-34-15-9-23/h2-9,14-15,20,22,25H,10-13,16-19H2,1H3,(H,36,42)
• InChIKey: VEQCNTXOVKQZMZ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 102.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.67
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118537217) is N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(C2CCOCC2)CC1.

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

The InChIKey is VEQCNTXOVKQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN8O2/c1-39-31(22-10-16-40(17-11-22)25-12-18-43-19-13-25)29(30(38-39)21-2-4-24(33)5-3-21)26-6-7-28-35-27(20-41(28)37-26)36-32(42)23-8-14-34-15-9-23/h2-9,14-15,20,22,25H,10-13,16-19H2,1H3,(H,36,42).

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

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 580.67 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118537217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).