1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea

C24H22F2N6O2 — CID 58334478

About 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea

1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea (PubChem CID 58334478) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea
• PubChem CID: 58334478
• Molecular Formula: C24H22F2N6O2
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.18
• IUPAC Name: 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea
• SMILES: COc1ccc(NC(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)cc1
• InChI: InChI=1S/C24H22F2N6O2/c1-34-17-7-5-16(6-8-17)28-24(33)29-23-14-27-21-10-11-22(30-32(21)23)31-12-2-3-20(31)18-13-15(25)4-9-19(18)26/h4-11,13-14,20H,2-3,12H2,1H3,(H2,28,29,33)/t20-/m1/s1
• InChIKey: RZADJPXSDZIQQE-HXUWFJFHSA-N
• XLogP: 5.00
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea?

The IUPAC name of 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea (CID 58334478) is 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea.

What is the SMILES notation for 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea?

The canonical SMILES for 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)cc1.

What is the InChIKey of 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea?

The InChIKey is RZADJPXSDZIQQE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-34-17-7-5-16(6-8-17)28-24(33)29-23-14-27-21-10-11-22(30-32(21)23)31-12-2-3-20(31)18-13-15(25)4-9-19(18)26/h4-11,13-14,20H,2-3,12H2,1H3,(H2,28,29,33)/t20-/m1/s1.

What are the key properties of 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea?

1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 464.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 58334478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).