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

C₂₆H₂₃FN₈O — CID 118537097

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 118537097) has the molecular formula C₂₆H₂₃FN₈O and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
• PubChem CID: 118537097
• Molecular Formula: C₂₆H₂₃FN₈O
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.20
• IUPAC Name: N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
• SMILES: Cn1cc(-c2ccc3nc(NC(=O)c4ccc(N5CCCC5)cn4)cn3n2)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C26H23FN8O/c1-33-15-20(25(32-33)17-4-6-18(27)7-5-17)21-10-11-24-29-23(16-35(24)31-21)30-26(36)22-9-8-19(14-28-22)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,36)
• InChIKey: FWRKAEILSWNTRG-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-pyrrolidin-1-ylpyridine-2-carboxamide?

The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 118537097) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.

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

The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccc(N5CCCC5)cn4)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-pyrrolidin-1-ylpyridine-2-carboxamide?

The InChIKey is FWRKAEILSWNTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-33-15-20(25(32-33)17-4-6-18(27)7-5-17)21-10-11-24-29-23(16-35(24)31-21)30-26(36)22-9-8-19(14-28-22)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,36).

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 118537097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118537097 — identifiers, structure, computed properties (public domain)

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