2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole

C27H16N10OS — CID 54550762

About 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole

2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole (PubChem CID 54550762) has the molecular formula C27H16N10OS and a molecular weight of 528.56 g/mol. Its IUPAC name is 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
• PubChem CID: 54550762
• Molecular Formula: C27H16N10OS
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.12
• IUPAC Name: 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
• SMILES: c1cnc(-c2cccnc2-c2coc(-c3ccsc3-c3nncc(-c4cnccn4)c3-c3ncc[nH]3)n2)nc1
• InChI: InChI=1S/C27H16N10OS/c1-3-16(25-31-6-2-7-32-25)22(30-5-1)20-15-38-27(36-20)17-4-12-39-24(17)23-21(26-33-10-11-34-26)18(13-35-37-23)19-14-28-8-9-29-19/h1-15H,(H,33,34)
• InChIKey: MNYKVPXTEMOUKU-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 144.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole?

The IUPAC name of 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole (CID 54550762) is 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole.

What is the SMILES notation for 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole?

The canonical SMILES for 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole is c1cnc(-c2cccnc2-c2coc(-c3ccsc3-c3nncc(-c4cnccn4)c3-c3ncc[nH]3)n2)nc1.

What is the InChIKey of 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole?

The InChIKey is MNYKVPXTEMOUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N10OS/c1-3-16(25-31-6-2-7-32-25)22(30-5-1)20-15-38-27(36-20)17-4-12-39-24(17)23-21(26-33-10-11-34-26)18(13-35-37-23)19-14-28-8-9-29-19/h1-15H,(H,33,34).

What are the key properties of 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole?

2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole has a molecular weight of 528.56 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 54550762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).