6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

C25H26FN7O — CID 58335889

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (PubChem CID 58335889) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
• PubChem CID: 58335889
• Molecular Formula: C25H26FN7O
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.22
• IUPAC Name: 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
• SMILES: Fc1cccc(C2CCCN2c2ccc3ncc(-c4cnc(OC5CCNCC5)nc4)n3n2)c1
• InChI: InChI=1S/C25H26FN7O/c26-19-4-1-3-17(13-19)21-5-2-12-32(21)24-7-6-23-28-16-22(33(23)31-24)18-14-29-25(30-15-18)34-20-8-10-27-11-9-20/h1,3-4,6-7,13-16,20-21,27H,2,5,8-12H2
• InChIKey: DWWZLSAVJCMMPA-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 80.47 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	459.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (CID 58335889) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cnc(OC5CCNCC5)nc4)n3n2)c1.

What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

The InChIKey is DWWZLSAVJCMMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c26-19-4-1-3-17(13-19)21-5-2-12-32(21)24-7-6-23-28-16-22(33(23)31-24)18-14-29-25(30-15-18)34-20-8-10-27-11-9-20/h1,3-4,6-7,13-16,20-21,27H,2,5,8-12H2.

What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine has a molecular weight of 459.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58335889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).