6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine

C24H20FN7 — CID 44519369

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 44519369) has the molecular formula C24H20FN7 and a molecular weight of 425.47 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
• PubChem CID: 44519369
• Molecular Formula: C24H20FN7
• Molecular Weight: 425.47 g/mol
• Exact Mass: 425.18
• IUPAC Name: 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
• SMILES: Fc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5ccn[nH]5)n4)n3n2)c1
• InChI: InChI=1S/C24H20FN7/c25-17-5-1-4-16(14-17)21-8-3-13-31(21)24-10-9-23-26-15-22(32(23)30-24)20-7-2-6-18(28-20)19-11-12-27-29-19/h1-2,4-7,9-12,14-15,21H,3,8,13H2,(H,27,29)
• InChIKey: QJAFTPHQSHPPOA-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.47
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 44519369) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5ccn[nH]5)n4)n3n2)c1.

What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?

The InChIKey is QJAFTPHQSHPPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7/c25-17-5-1-4-16(14-17)21-8-3-13-31(21)24-10-9-23-26-15-22(32(23)30-24)20-7-2-6-18(28-20)19-11-12-27-29-19/h1-2,4-7,9-12,14-15,21H,3,8,13H2,(H,27,29).

What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 425.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 44519369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).