2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

C32H29FN8O2S — CID 158512803

About 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 158512803) has the molecular formula C32H29FN8O2S and a molecular weight of 608.70 g/mol. Its IUPAC name is 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
• PubChem CID: 158512803
• Molecular Formula: C32H29FN8O2S
• Molecular Weight: 608.70 g/mol
• Exact Mass: 608.21
• IUPAC Name: 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
• SMILES: Cc1nc(-c2cccnc2)sc1C(=O)Cc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCN3CCOCC3)ccc2n1
• InChI: InChI=1S/C32H29FN8O2S/c1-21-31(44-32(36-21)23-3-2-10-34-18-23)27(42)17-25-19-41-28(37-25)9-8-26(38-41)30-29(22-4-6-24(33)7-5-22)35-20-40(30)12-11-39-13-15-43-16-14-39/h2-10,18-20H,11-17H2,1H3
• InChIKey: HLGNZGNEJOASTL-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 103.33 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.70
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?

The IUPAC name of 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone (CID 158512803) is 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone.

What is the SMILES notation for 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?

The canonical SMILES for 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2cccnc2)sc1C(=O)Cc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCN3CCOCC3)ccc2n1.

What is the InChIKey of 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?

The InChIKey is HLGNZGNEJOASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN8O2S/c1-21-31(44-32(36-21)23-3-2-10-34-18-23)27(42)17-25-19-41-28(37-25)9-8-26(38-41)30-29(22-4-6-24(33)7-5-22)35-20-40(30)12-11-39-13-15-43-16-14-39/h2-10,18-20H,11-17H2,1H3.

What are the key properties of 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?

2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 608.70 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 158512803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).